N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C27H32N6O5 — CID 163563934

IUPACN-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCCc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)[C@H]4CCCO4)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C27H32N6O5/c1-32(26(35)23-8-5-11-38-23)16-20-12-19-6-3-9-33(25(19)30-22(20)17-34)27(36)31-24-13-18(7-4-10-37-2)21(14-28)15-29-24/h12-13,15,17,23H,3-11,16H2,1-2H3,(H,29,31,36)/t23-/m1/s1
InChIKeyBYOODIJGWVMIGP-HSZRJFAPSA-N
MW520.59 g/mol
LogP2.86
Rot. Bonds9

About N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 163563934) has the molecular formula C27H32N6O5 and a molecular weight of 520.59 g/mol. Its IUPAC name is N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID163563934
Molecular FormulaC27H32N6O5
Molecular Weight520.59 g/mol
Exact Mass520.24
IUPAC NameN-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCCc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)[C@H]4CCCO4)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C27H32N6O5/c1-32(26(35)23-8-5-11-38-23)16-20-12-19-6-3-9-33(25(19)30-22(20)17-34)27(36)31-24-13-18(7-4-10-37-2)21(14-28)15-29-24/h12-13,15,17,23H,3-11,16H2,1-2H3,(H,29,31,36)/t23-/m1/s1
InChIKeyBYOODIJGWVMIGP-HSZRJFAPSA-N
XLogP2.86
TPSA137.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 163563934) is N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCCc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)[C@H]4CCCO4)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is BYOODIJGWVMIGP-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H32N6O5/c1-32(26(35)23-8-5-11-38-23)16-20-12-19-6-3-9-33(25(19)30-22(20)17-34)27(36)31-24-13-18(7-4-10-37-2)21(14-28)15-29-24/h12-13,15,17,23H,3-11,16H2,1-2H3,(H,29,31,36)/t23-/m1/s1.
What are the key properties of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 520.59 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[methyl-[(2R)-oxolane-2-carbonyl]amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 163563934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).