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

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

N-[5-cyano-4-[[(1R,2R)-2-methoxycyclobutyl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 134256056) has the molecular formula C27H31N7O5 and a molecular weight of 533.59 g/mol. Its IUPAC name is N-[5-cyano-4-[[(1R,2R)-2-methoxycyclobutyl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name	N-[5-cyano-4-[[(1R,2R)-2-methoxycyclobutyl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID	134256056
Molecular Formula	C27H31N7O5
Molecular Weight	533.59 g/mol
Exact Mass	533.24
IUPAC Name	N-[5-cyano-4-[[(1R,2R)-2-methoxycyclobutyl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILES	CO[C@@H]1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(N[C@@H]4CC[C@H]4OC)c(C#N)cn2)CCC3)C1=O
InChI	InChI=1S/C27H31N7O5/c1-38-22-6-5-19(22)30-20-11-24(29-13-18(20)12-28)32-27(37)34-8-3-4-16-10-17(21(15-35)31-25(16)34)14-33-9-7-23(39-2)26(33)36/h10-11,13,15,19,22-23H,3-9,14H2,1-2H3,(H2,29,30,32,37)/t19-,22-,23-/m1/s1
InChIKey	HQPHRDHZDXJDQJ-UEVCKROQSA-N
XLogP	2.48
TPSA	149.78 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	8
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.59
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-4-[[(1R,2R)-2-methoxycyclobutyl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 134256056) is N-[5-cyano-4-[[(1R,2R)-2-methoxycyclobutyl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

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

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

The InChIKey is HQPHRDHZDXJDQJ-UEVCKROQSA-N. The full InChI is InChI=1S/C27H31N7O5/c1-38-22-6-5-19(22)30-20-11-24(29-13-18(20)12-28)32-27(37)34-8-3-4-16-10-17(21(15-35)31-25(16)34)14-33-9-7-23(39-2)26(33)36/h10-11,13,15,19,22-23H,3-9,14H2,1-2H3,(H2,29,30,32,37)/t19-,22-,23-/m1/s1.

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

N-[5-cyano-4-[[(1R,2R)-2-methoxycyclobutyl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 533.59 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-[[(1R,2R)-2-methoxycyclobutyl]amino]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 134256056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).