(7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide

C25H34N6O2 — CID 146436386

IUPAC(7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide
SMILESCCCC(CNC(=O)c1cnc2c(c1)CC[C@](C)(c1cncnc1)N2)N(C)C(=O)C1CCC1
InChIInChI=1S/C25H34N6O2/c1-4-6-21(31(3)24(33)17-7-5-8-17)15-29-23(32)19-11-18-9-10-25(2,30-22(18)28-12-19)20-13-26-16-27-14-20/h11-14,16-17,21H,4-10,15H2,1-3H3,(H,28,30)(H,29,32)/t21?,25-/m1/s1
InChIKeyLXRJNFZGQRPAES-UIDYPRJRSA-N
MW450.59 g/mol
LogP3.30
Rot. Bonds8

About (7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide

(7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide (PubChem CID 146436386) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is (7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name(7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide
PubChem CID146436386
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC Name(7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide
SMILESCCCC(CNC(=O)c1cnc2c(c1)CC[C@](C)(c1cncnc1)N2)N(C)C(=O)C1CCC1
InChIInChI=1S/C25H34N6O2/c1-4-6-21(31(3)24(33)17-7-5-8-17)15-29-23(32)19-11-18-9-10-25(2,30-22(18)28-12-19)20-13-26-16-27-14-20/h11-14,16-17,21H,4-10,15H2,1-3H3,(H,28,30)(H,29,32)/t21?,25-/m1/s1
InChIKeyLXRJNFZGQRPAES-UIDYPRJRSA-N
XLogP3.30
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of (7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide (CID 146436386) is (7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for (7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for (7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide is CCCC(CNC(=O)c1cnc2c(c1)CC[C@](C)(c1cncnc1)N2)N(C)C(=O)C1CCC1.
What is the InChIKey of (7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide?
The InChIKey is LXRJNFZGQRPAES-UIDYPRJRSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-4-6-21(31(3)24(33)17-7-5-8-17)15-29-23(32)19-11-18-9-10-25(2,30-22(18)28-12-19)20-13-26-16-27-14-20/h11-14,16-17,21H,4-10,15H2,1-3H3,(H,28,30)(H,29,32)/t21?,25-/m1/s1.
What are the key properties of (7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide?
(7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-[2-[cyclobutanecarbonyl(methyl)amino]pentyl]-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 146436386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).