N-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C24H26N8O2 — CID 170677804

IUPACN-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(/C(N)=N/c2ccc(N3C[C@H]4C[C@@H]3CO4)cn2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C24H26N8O2/c1-26-23-19-10-28-21(31-24(33)13-2-3-13)7-17(19)18(9-29-23)22(25)30-20-5-4-14(8-27-20)32-11-16-6-15(32)12-34-16/h4-5,7-10,13,15-16H,2-3,6,11-12H2,1H3,(H,26,29)(H2,25,27,30)(H,28,31,33)/t15-,16-/m1/s1
InChIKeyNVXRMKKOFYDOBG-HZPDHXFCSA-N
MW458.53 g/mol
LogP2.43
Rot. Bonds6

About N-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170677804) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is N-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID170677804
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC NameN-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(/C(N)=N/c2ccc(N3C[C@H]4C[C@@H]3CO4)cn2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C24H26N8O2/c1-26-23-19-10-28-21(31-24(33)13-2-3-13)7-17(19)18(9-29-23)22(25)30-20-5-4-14(8-27-20)32-11-16-6-15(32)12-34-16/h4-5,7-10,13,15-16H,2-3,6,11-12H2,1H3,(H,26,29)(H2,25,27,30)(H,28,31,33)/t15-,16-/m1/s1
InChIKeyNVXRMKKOFYDOBG-HZPDHXFCSA-N
XLogP2.43
TPSA130.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677904
N-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 170677782
6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide
CID 170626528
N-[5-methyl-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626822
N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627400
cis-(1S,2R)-2-methyl-N-[8-(methylamino)-5-[6-(3-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonan-8-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 174183201
(2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide
CID 170626807
1-fluoro-N-[8-(methylamino)-5-[6-(3-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonan-8-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 174184661
N-[5-[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121927
N-[8-(methylamino)-5-(1-methylindol-3-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677953
N-[5-(5-amino-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626703
N-[8-(methylamino)-5-[2-(trimethyl-λ4-sulfanyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174184953

Frequently Asked Questions

What is the IUPAC name of N-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170677804) is N-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ncc(/C(N)=N/c2ccc(N3C[C@H]4C[C@@H]3CO4)cn2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is NVXRMKKOFYDOBG-HZPDHXFCSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-26-23-19-10-28-21(31-24(33)13-2-3-13)7-17(19)18(9-29-23)22(25)30-20-5-4-14(8-27-20)32-11-16-6-15(32)12-34-16/h4-5,7-10,13,15-16H,2-3,6,11-12H2,1H3,(H,26,29)(H2,25,27,30)(H,28,31,33)/t15-,16-/m1/s1.
What are the key properties of N-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 458.53 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(methylamino)-5-[N'-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyridinyl]carbamimidoyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170677804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).