2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide

C25H24N6O3 — CID 170677758

IUPAC2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide
SMILESCNc1ncc(-c2nc3cc(C(=O)NCC4CC4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C25H24N6O3/c1-26-22-17-11-27-21(31-24(33)14-4-5-14)9-16(17)18(12-28-22)25-30-19-8-15(6-7-20(19)34-25)23(32)29-10-13-2-3-13/h6-9,11-14H,2-5,10H2,1H3,(H,26,28)(H,29,32)(H,27,31,33)
InChIKeyNRKMDEKNSCOFSW-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.97
Rot. Bonds7

About 2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide

2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 170677758) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide
PubChem CID170677758
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide
SMILESCNc1ncc(-c2nc3cc(C(=O)NCC4CC4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C25H24N6O3/c1-26-22-17-11-27-21(31-24(33)14-4-5-14)9-16(17)18(12-28-22)25-30-19-8-15(6-7-20(19)34-25)23(32)29-10-13-2-3-13/h6-9,11-14H,2-5,10H2,1H3,(H,26,28)(H,29,32)(H,27,31,33)
InChIKeyNRKMDEKNSCOFSW-UHFFFAOYSA-N
XLogP3.97
TPSA122.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(5-amino-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626703
N-[5-[5-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626779
N-[5-[5-[(2R)-1-methoxypropan-2-yl]oxy-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627056
N-[5-[5-[(2S)-2-methoxypropoxy]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627057
N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627187
N-[5-[5-(3-methoxypyrrolidin-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174204243
N-[5-[5-(6-methoxy-4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174182679
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
N-[8-(methylamino)-5-[5-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;hydrochloride
CID 170626542
N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627478
(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-[(2S)-2-cyanoazetidin-1-yl]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626716

Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide (CID 170677758) is 2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide is CNc1ncc(-c2nc3cc(C(=O)NCC4CC4)ccc3o2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of 2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is NRKMDEKNSCOFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-26-22-17-11-27-21(31-24(33)14-4-5-14)9-16(17)18(12-28-22)25-30-19-8-15(6-7-20(19)34-25)23(32)29-10-13-2-3-13/h6-9,11-14H,2-5,10H2,1H3,(H,26,28)(H,29,32)(H,27,31,33).
What are the key properties of 2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide?
2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 170677758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).