N-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C25H28N6O4 — CID 130469892

IUPACN-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(-c4cccc(OC)c4)c(C=O)nc32)ncc1N
InChIInChI=1S/C25H28N6O4/c1-34-10-8-27-21-13-23(28-14-20(21)26)30-25(33)31-9-4-6-17-12-19(22(15-32)29-24(17)31)16-5-3-7-18(11-16)35-2/h3,5,7,11-15H,4,6,8-10,26H2,1-2H3,(H2,27,28,30,33)
InChIKeyOUWQBSRVSFCHSX-UHFFFAOYSA-N
MW476.54 g/mol
LogP3.59
Rot. Bonds8

About N-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 130469892) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID130469892
Molecular FormulaC25H28N6O4
Molecular Weight476.54 g/mol
Exact Mass476.22
IUPAC NameN-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(-c4cccc(OC)c4)c(C=O)nc32)ncc1N
InChIInChI=1S/C25H28N6O4/c1-34-10-8-27-21-13-23(28-14-20(21)26)30-25(33)31-9-4-6-17-12-19(22(15-32)29-24(17)31)16-5-3-7-18(11-16)35-2/h3,5,7,11-15H,4,6,8-10,26H2,1-2H3,(H2,27,28,30,33)
InChIKeyOUWQBSRVSFCHSX-UHFFFAOYSA-N
XLogP3.59
TPSA131.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 130469892) is N-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(-c4cccc(OC)c4)c(C=O)nc32)ncc1N.
What is the InChIKey of N-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is OUWQBSRVSFCHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-34-10-8-27-21-13-23(28-14-20(21)26)30-25(33)31-9-4-6-17-12-19(22(15-32)29-24(17)31)16-5-3-7-18(11-16)35-2/h3,5,7,11-15H,4,6,8-10,26H2,1-2H3,(H2,27,28,30,33).
What are the key properties of N-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 3.59, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-6-(3-methoxyphenyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 130469892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).