6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide

C19H17IN6O2 — CID 170626528

IUPAC6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide
SMILESCNc1ncc(C(=O)Nc2ccncc2I)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C19H17IN6O2/c1-21-17-12-7-23-16(26-18(27)10-2-3-10)6-11(12)13(8-24-17)19(28)25-15-4-5-22-9-14(15)20/h4-10H,2-3H2,1H3,(H,21,24)(H,22,25,28)(H,23,26,27)
InChIKeyFCJFEKASGVDYMH-UHFFFAOYSA-N
MW488.29 g/mol
LogP3.27
Rot. Bonds5

About 6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide

6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide (PubChem CID 170626528) has the molecular formula C19H17IN6O2 and a molecular weight of 488.29 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide
PubChem CID170626528
Molecular FormulaC19H17IN6O2
Molecular Weight488.29 g/mol
Exact Mass488.05
IUPAC Name6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide
SMILESCNc1ncc(C(=O)Nc2ccncc2I)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C19H17IN6O2/c1-21-17-12-7-23-16(26-18(27)10-2-3-10)6-11(12)13(8-24-17)19(28)25-15-4-5-22-9-14(15)20/h4-10H,2-3H2,1H3,(H,21,24)(H,22,25,28)(H,23,26,27)
InChIKeyFCJFEKASGVDYMH-UHFFFAOYSA-N
XLogP3.27
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.29
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-methyl-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626822
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-[2-(trimethyl-λ4-sulfanyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174184953
N-[8-(methylamino)-5-(1-methylindol-3-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677953
N-[5-(1H-isochromen-3-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627400
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-(5-amino-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626703
N-[5-[2-[2-(difluoromethyl)-4-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677660
N-[8-(methylamino)-5-(5-phenyl-1,3-oxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626556
N-[8-(methylamino)-5-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627372
N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677930
N-[8-(methylamino)-5-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626517

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide (CID 170626528) is 6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide is CNc1ncc(C(=O)Nc2ccncc2I)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide?
The InChIKey is FCJFEKASGVDYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IN6O2/c1-21-17-12-7-23-16(26-18(27)10-2-3-10)6-11(12)13(8-24-17)19(28)25-15-4-5-22-9-14(15)20/h4-10H,2-3H2,1H3,(H,21,24)(H,22,25,28)(H,23,26,27).
What are the key properties of 6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide?
6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide has a molecular weight of 488.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-N-(3-iodo-4-pyridinyl)-1-(methylamino)-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 170626528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).