N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide

C20H33N5O — CID 127688084

IUPACN-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
SMILESCCC(C)n1ncc(NC(=O)N2CCC3C(CCCN3C)C2)c1C1CC1
InChIInChI=1S/C20H33N5O/c1-4-14(2)25-19(15-7-8-15)17(12-21-25)22-20(26)24-11-9-18-16(13-24)6-5-10-23(18)3/h12,14-16,18H,4-11,13H2,1-3H3,(H,22,26)
InChIKeySCBZWDGQMJVZHG-UHFFFAOYSA-N
MW359.52 g/mol
LogP3.68
Rot. Bonds4

About N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide

N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide (PubChem CID 127688084) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
PubChem CID127688084
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
SMILESCCC(C)n1ncc(NC(=O)N2CCC3C(CCCN3C)C2)c1C1CC1
InChIInChI=1S/C20H33N5O/c1-4-14(2)25-19(15-7-8-15)17(12-21-25)22-20(26)24-11-9-18-16(13-24)6-5-10-23(18)3/h12,14-16,18H,4-11,13H2,1-3H3,(H,22,26)
InChIKeySCBZWDGQMJVZHG-UHFFFAOYSA-N
XLogP3.68
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide with MolForge

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Related Compounds

3-cyano-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methylazetidine-1-carboxamide
CID 128404468
N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
CID 138025197
N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 164637945
(3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide
CID 164641706
N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide
CID 127752425
4-(difluoromethyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]piperidine-1-carboxamide
CID 128413253
N-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide
CID 128637002
N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide
CID 128758059
5-fluoro-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 136582085
1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]urea
CID 137985021
3-[(4-methylpiperidin-1-yl)methyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 139012694
1-(5-Cyclopropyl-1-propylpyrazol-4-yl)-3-(1,1,1-trifluoro-2-methylbutan-2-yl)urea
CID 146139709

Frequently Asked Questions

What is the IUPAC name of N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The IUPAC name of N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide (CID 127688084) is N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide is CCC(C)n1ncc(NC(=O)N2CCC3C(CCCN3C)C2)c1C1CC1.
What is the InChIKey of N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The InChIKey is SCBZWDGQMJVZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-4-14(2)25-19(15-7-8-15)17(12-21-25)22-20(26)24-11-9-18-16(13-24)6-5-10-23(18)3/h12,14-16,18H,4-11,13H2,1-3H3,(H,22,26).
What are the key properties of N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 127688084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).