N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide

C20H27N5O2 — CID 154737203

IUPACN-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCOCC1)c1ccnc(-n2cccn2)c1
InChIInChI=1S/C20H27N5O2/c26-19(17-5-9-21-18(15-17)25-12-4-8-23-25)22-16-20(6-13-27-14-7-20)24-10-2-1-3-11-24/h4-5,8-9,12,15H,1-3,6-7,10-11,13-14,16H2,(H,22,26)
InChIKeyGLQGQVBBMRQRCW-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.03
Rot. Bonds5

About N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide

N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide (PubChem CID 154737203) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide
PubChem CID154737203
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCOCC1)c1ccnc(-n2cccn2)c1
InChIInChI=1S/C20H27N5O2/c26-19(17-5-9-21-18(15-17)25-12-4-8-23-25)22-16-20(6-13-27-14-7-20)24-10-2-1-3-11-24/h4-5,8-9,12,15H,1-3,6-7,10-11,13-14,16H2,(H,22,26)
InChIKeyGLQGQVBBMRQRCW-UHFFFAOYSA-N
XLogP2.03
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide
CID 136524945
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylbenzamide
CID 9291996
1-(3-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]triazole-4-carboxamide
CID 136524946
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
CID 17404060
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17391709
3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 56787210
3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 125420203
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 70725146
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide (CID 154737203) is N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide is O=C(NCC1(N2CCCCC2)CCOCC1)c1ccnc(-n2cccn2)c1.
What is the InChIKey of N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide?
The InChIKey is GLQGQVBBMRQRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-19(17-5-9-21-18(15-17)25-12-4-8-23-25)22-16-20(6-13-27-14-7-20)24-10-2-1-3-11-24/h4-5,8-9,12,15H,1-3,6-7,10-11,13-14,16H2,(H,22,26).
What are the key properties of N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide?
N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 154737203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).