N-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C29H37N7O6 — CID 145406809

IUPACN-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCC1(Oc2cc(NC(=O)N3CCCc4cc(CN5CCN(C)CC5=O)c(C(OC)OC)nc43)ncc2C#N)CC1
InChIInChI=1S/C29H37N7O6/c1-34-10-11-35(24(37)17-34)16-20-12-19-6-5-9-36(26(19)33-25(20)27(40-3)41-4)28(38)32-23-13-22(21(14-30)15-31-23)42-29(7-8-29)18-39-2/h12-13,15,27H,5-11,16-18H2,1-4H3,(H,31,32,38)
InChIKeyIQXMIHKSNKTUER-UHFFFAOYSA-N
MW579.66 g/mol
LogP2.46
Rot. Bonds10

About N-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 145406809) has the molecular formula C29H37N7O6 and a molecular weight of 579.66 g/mol. Its IUPAC name is N-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID145406809
Molecular FormulaC29H37N7O6
Molecular Weight579.66 g/mol
Exact Mass579.28
IUPAC NameN-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCC1(Oc2cc(NC(=O)N3CCCc4cc(CN5CCN(C)CC5=O)c(C(OC)OC)nc43)ncc2C#N)CC1
InChIInChI=1S/C29H37N7O6/c1-34-10-11-35(24(37)17-34)16-20-12-19-6-5-9-36(26(19)33-25(20)27(40-3)41-4)28(38)32-23-13-22(21(14-30)15-31-23)42-29(7-8-29)18-39-2/h12-13,15,27H,5-11,16-18H2,1-4H3,(H,31,32,38)
InChIKeyIQXMIHKSNKTUER-UHFFFAOYSA-N
XLogP2.46
TPSA142.38 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.66
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 145406809) is N-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCC1(Oc2cc(NC(=O)N3CCCc4cc(CN5CCN(C)CC5=O)c(C(OC)OC)nc43)ncc2C#N)CC1.
What is the InChIKey of N-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is IQXMIHKSNKTUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O6/c1-34-10-11-35(24(37)17-34)16-20-12-19-6-5-9-36(26(19)33-25(20)27(40-3)41-4)28(38)32-23-13-22(21(14-30)15-31-23)42-29(7-8-29)18-39-2/h12-13,15,27H,5-11,16-18H2,1-4H3,(H,31,32,38).
What are the key properties of N-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 579.66 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 145406809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).