N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C29H37N7O3S2 — CID 146320349

About N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 146320349) has the molecular formula C29H37N7O3S2 and a molecular weight of 595.80 g/mol. Its IUPAC name is N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 146320349
• Molecular Formula: C29H37N7O3S2
• Molecular Weight: 595.80 g/mol
• Exact Mass: 595.24
• IUPAC Name: N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CSCCC[C@@H]1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(N[C@H](C)CSC)c(C#N)cn2)CCC3)C1=O
• InChI: InChI=1S/C29H37N7O3S2/c1-19(18-41-3)32-24-13-26(31-15-23(24)14-30)34-29(39)36-9-4-6-21-12-22(25(17-37)33-27(21)36)16-35-10-8-20(28(35)38)7-5-11-40-2/h12-13,15,17,19-20H,4-11,16,18H2,1-3H3,(H2,31,32,34,39)/t19-,20-/m1/s1
• InChIKey: QXVGFZDHVUVUAW-WOJBJXKFSA-N
• XLogP: 4.80
• TPSA: 131.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.80
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 146320349) is N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CSCCC[C@@H]1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(N[C@H](C)CSC)c(C#N)cn2)CCC3)C1=O.

What is the InChIKey of N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is QXVGFZDHVUVUAW-WOJBJXKFSA-N. The full InChI is InChI=1S/C29H37N7O3S2/c1-19(18-41-3)32-24-13-26(31-15-23(24)14-30)34-29(39)36-9-4-6-21-12-22(25(17-37)33-27(21)36)16-35-10-8-20(28(35)38)7-5-11-40-2/h12-13,15,17,19-20H,4-11,16,18H2,1-3H3,(H2,31,32,34,39)/t19-,20-/m1/s1.

What are the key properties of N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 595.80 g/mol, XLogP of 4.80, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-(3-methylsulfanylpropyl)-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 146320349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).