N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide

C20H31N5O — CID 140718667

IUPACN-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide
SMILESCC(C)N1CCC(N2CC3CC(C2)N(NC(=O)c2ccccn2)C3)CC1
InChIInChI=1S/C20H31N5O/c1-15(2)23-9-6-17(7-10-23)24-12-16-11-18(14-24)25(13-16)22-20(26)19-5-3-4-8-21-19/h3-5,8,15-18H,6-7,9-14H2,1-2H3,(H,22,26)
InChIKeyNIJUGWJNOSMPCS-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.61
Rot. Bonds4

About N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide

N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide (PubChem CID 140718667) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide
PubChem CID140718667
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC NameN-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide
SMILESCC(C)N1CCC(N2CC3CC(C2)N(NC(=O)c2ccccn2)C3)CC1
InChIInChI=1S/C20H31N5O/c1-15(2)23-9-6-17(7-10-23)24-12-16-11-18(14-24)25(13-16)22-20(26)19-5-3-4-8-21-19/h3-5,8,15-18H,6-7,9-14H2,1-2H3,(H,22,26)
InChIKeyNIJUGWJNOSMPCS-UHFFFAOYSA-N
XLogP1.61
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[[5-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide
CID 140802572
N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide
CID 9424594
N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 140701990
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 19710906
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
N-[4-[4-(sulfanylcarbamoyl)piperidin-1-yl]butan-2-yl]pyridine-2-carboxamide
CID 135216894
CID 87968844
CID 87968844
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
2-(4-morpholin-4-ylpiperidin-1-yl)-N-pyridin-2-ylpropanamide
CID 91830061

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide (CID 140718667) is N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide is CC(C)N1CCC(N2CC3CC(C2)N(NC(=O)c2ccccn2)C3)CC1.
What is the InChIKey of N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide?
The InChIKey is NIJUGWJNOSMPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-15(2)23-9-6-17(7-10-23)24-12-16-11-18(14-24)25(13-16)22-20(26)19-5-3-4-8-21-19/h3-5,8,15-18H,6-7,9-14H2,1-2H3,(H,22,26).
What are the key properties of N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide?
N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-propan-2-ylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 140718667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).