N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C24H27FN8O — CID 170677904

IUPACN-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(/C(N)=N/c2ccc(N3CCC(F)CC3)cn2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C24H27FN8O/c1-27-23-19-13-29-21(32-24(34)14-2-3-14)10-17(19)18(12-30-23)22(26)31-20-5-4-16(11-28-20)33-8-6-15(25)7-9-33/h4-5,10-15H,2-3,6-9H2,1H3,(H,27,30)(H2,26,28,31)(H,29,32,34)
InChIKeyVFYKALURVAHPQS-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.39
Rot. Bonds6

About N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170677904) has the molecular formula C24H27FN8O and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID170677904
Molecular FormulaC24H27FN8O
Molecular Weight462.53 g/mol
Exact Mass462.23
IUPAC NameN-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(/C(N)=N/c2ccc(N3CCC(F)CC3)cn2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C24H27FN8O/c1-27-23-19-13-29-21(32-24(34)14-2-3-14)10-17(19)18(12-30-23)22(26)31-20-5-4-16(11-28-20)33-8-6-15(25)7-9-33/h4-5,10-15H,2-3,6-9H2,1H3,(H,27,30)(H2,26,28,31)(H,29,32,34)
InChIKeyVFYKALURVAHPQS-UHFFFAOYSA-N
XLogP3.39
TPSA121.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[8-(methylamino)-5-[N'-(5-morpholin-4-yl-2-pyridinyl)carbamimidoyl]-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 170677782
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
N-[5-[6-(4-fluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677966
N-[5-[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121927
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-[8-(methylamino)-5-(1-methylindol-3-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677953
N-[5-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678127
1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid
CID 144878454
(2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide
CID 170626807
N-[5-[5-(3-methoxypyrrolidin-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174204243
N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677939

Frequently Asked Questions

What is the IUPAC name of N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170677904) is N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ncc(/C(N)=N/c2ccc(N3CCC(F)CC3)cn2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is VFYKALURVAHPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O/c1-27-23-19-13-29-21(32-24(34)14-2-3-14)10-17(19)18(12-30-23)22(26)31-20-5-4-16(11-28-20)33-8-6-15(25)7-9-33/h4-5,10-15H,2-3,6-9H2,1H3,(H,27,30)(H2,26,28,31)(H,29,32,34).
What are the key properties of N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 462.53 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[N'-[5-(4-fluoropiperidin-1-yl)-2-pyridinyl]carbamimidoyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170677904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).