N-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C27H32N6O6 — CID 163512185

IUPACN-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(CC3COC[C@H]3OC)c(C#N)cn1)CCC2
InChIInChI=1S/C27H32N6O6/c1-32(25(35)16-37-2)12-19-7-17-5-4-6-33(26(17)30-22(19)13-34)27(36)31-24-9-18(21(10-28)11-29-24)8-20-14-39-15-23(20)38-3/h7,9,11,13,20,23H,4-6,8,12,14-16H2,1-3H3,(H,29,31,36)/t20?,23-/m1/s1
InChIKeyDDPKAKRTCPLSJG-GWQXNCQPSA-N
MW536.59 g/mol
LogP1.95
Rot. Bonds9

About N-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 163512185) has the molecular formula C27H32N6O6 and a molecular weight of 536.59 g/mol. Its IUPAC name is N-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID163512185
Molecular FormulaC27H32N6O6
Molecular Weight536.59 g/mol
Exact Mass536.24
IUPAC NameN-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(CC3COC[C@H]3OC)c(C#N)cn1)CCC2
InChIInChI=1S/C27H32N6O6/c1-32(25(35)16-37-2)12-19-7-17-5-4-6-33(26(17)30-22(19)13-34)27(36)31-24-9-18(21(10-28)11-29-24)8-20-14-39-15-23(20)38-3/h7,9,11,13,20,23H,4-6,8,12,14-16H2,1-3H3,(H,29,31,36)/t20?,23-/m1/s1
InChIKeyDDPKAKRTCPLSJG-GWQXNCQPSA-N
XLogP1.95
TPSA146.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.59
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 163512185) is N-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(CC3COC[C@H]3OC)c(C#N)cn1)CCC2.
What is the InChIKey of N-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is DDPKAKRTCPLSJG-GWQXNCQPSA-N. The full InChI is InChI=1S/C27H32N6O6/c1-32(25(35)16-37-2)12-19-7-17-5-4-6-33(26(17)30-22(19)13-34)27(36)31-24-9-18(21(10-28)11-29-24)8-20-14-39-15-23(20)38-3/h7,9,11,13,20,23H,4-6,8,12,14-16H2,1-3H3,(H,29,31,36)/t20?,23-/m1/s1.
What are the key properties of N-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 536.59 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-[[(4S)-4-methoxyoxolan-3-yl]methyl]-2-pyridinyl]-7-formyl-6-[[(2-methoxyacetyl)-methylamino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 163512185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).