N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide

C26H29N7O2 — CID 155782052

IUPACN-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide
SMILESCC(=O)NC1CCC(NC(=O)c2cnc3ccc(-c4cncc(C#N)c4)nc3c2NC(C)C)CC1
InChIInChI=1S/C26H29N7O2/c1-15(2)30-24-21(26(35)32-20-6-4-19(5-7-20)31-16(3)34)14-29-23-9-8-22(33-25(23)24)18-10-17(11-27)12-28-13-18/h8-10,12-15,19-20H,4-7H2,1-3H3,(H,29,30)(H,31,34)(H,32,35)
InChIKeyFGPDDXXRIQCBPW-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.56
Rot. Bonds6

About N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide

N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide (PubChem CID 155782052) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide
PubChem CID155782052
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide
SMILESCC(=O)NC1CCC(NC(=O)c2cnc3ccc(-c4cncc(C#N)c4)nc3c2NC(C)C)CC1
InChIInChI=1S/C26H29N7O2/c1-15(2)30-24-21(26(35)32-20-6-4-19(5-7-20)31-16(3)34)14-29-23-9-8-22(33-25(23)24)18-10-17(11-27)12-28-13-18/h8-10,12-15,19-20H,4-7H2,1-3H3,(H,29,30)(H,31,34)(H,32,35)
InChIKeyFGPDDXXRIQCBPW-UHFFFAOYSA-N
XLogP3.56
TPSA132.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide (CID 155782052) is N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide is CC(=O)NC1CCC(NC(=O)c2cnc3ccc(-c4cncc(C#N)c4)nc3c2NC(C)C)CC1.
What is the InChIKey of N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide?
The InChIKey is FGPDDXXRIQCBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-15(2)30-24-21(26(35)32-20-6-4-19(5-7-20)31-16(3)34)14-29-23-9-8-22(33-25(23)24)18-10-17(11-27)12-28-13-18/h8-10,12-15,19-20H,4-7H2,1-3H3,(H,29,30)(H,31,34)(H,32,35).
What are the key properties of N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide?
N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 155782052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).