N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C22H20N4O2 — CID 170627400

IUPACN-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(C2=Cc3ccccc3CO2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C22H20N4O2/c1-23-21-18-11-24-20(26-22(27)13-6-7-13)9-16(18)17(10-25-21)19-8-14-4-2-3-5-15(14)12-28-19/h2-5,8-11,13H,6-7,12H2,1H3,(H,23,25)(H,24,26,27)
InChIKeyKAJLNSQQUYRUET-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.05
Rot. Bonds4

About N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170627400) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID170627400
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(C2=Cc3ccccc3CO2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C22H20N4O2/c1-23-21-18-11-24-20(26-22(27)13-6-7-13)9-16(18)17(10-25-21)19-8-14-4-2-3-5-15(14)12-28-19/h2-5,8-11,13H,6-7,12H2,1H3,(H,23,25)(H,24,26,27)
InChIKeyKAJLNSQQUYRUET-UHFFFAOYSA-N
XLogP4.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[8-(methylamino)-5-(1-methylindol-3-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677953
N-[8-(methylamino)-5-(5-phenyl-1,3-oxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626556
N-[5-methyl-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626822
N-[8-(methylamino)-5-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626517
N-[5-(5-amino-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626703
N-[8-(methylamino)-5-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626917
(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
2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide
CID 170677758
N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627372
N-[8-(methylamino)-5-[2-(trimethyl-λ4-sulfanyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174184953
N-[5-[5-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626779

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170627400) is N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ncc(C2=Cc3ccccc3CO2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is KAJLNSQQUYRUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-23-21-18-11-24-20(26-22(27)13-6-7-13)9-16(18)17(10-25-21)19-8-14-4-2-3-5-15(14)12-28-19/h2-5,8-11,13H,6-7,12H2,1H3,(H,23,25)(H,24,26,27).
What are the key properties of N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170627400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).