N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide

C18H25N5O — CID 124997513

IUPACN-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
SMILESCN(C(=O)CCc1ccnn1C)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C18H25N5O/c1-21(18(24)9-8-15-10-12-20-22(15)2)16-6-5-13-23(14-16)17-7-3-4-11-19-17/h3-4,7,10-12,16H,5-6,8-9,13-14H2,1-2H3/t16-/m0/s1
InChIKeyRATZJNZYTREOSK-INIZCTEOSA-N
MW327.43 g/mol
LogP1.88
Rot. Bonds5

About N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide

N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide (PubChem CID 124997513) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
PubChem CID124997513
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
SMILESCN(C(=O)CCc1ccnn1C)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C18H25N5O/c1-21(18(24)9-8-15-10-12-20-22(15)2)16-6-5-13-23(14-16)17-7-3-4-11-19-17/h3-4,7,10-12,16H,5-6,8-9,13-14H2,1-2H3/t16-/m0/s1
InChIKeyRATZJNZYTREOSK-INIZCTEOSA-N
XLogP1.88
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124985299
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide
CID 124969226
3-(2-ethylimidazol-1-yl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124939708
2-(2-methoxyphenyl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124987309
N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124975661
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
N,1,3-trimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-4-carboxamide
CID 124986213
N,1,3-trimethyl-N-(1-pyridin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 110107211
N-methyl-3-(2-methylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 138036982
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide
CID 124947513
3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide
CID 120613030

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide?
The IUPAC name of N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide (CID 124997513) is N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide.
What is the SMILES notation for N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide?
The canonical SMILES for N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide is CN(C(=O)CCc1ccnn1C)[C@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide?
The InChIKey is RATZJNZYTREOSK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-21(18(24)9-8-15-10-12-20-22(15)2)16-6-5-13-23(14-16)17-7-3-4-11-19-17/h3-4,7,10-12,16H,5-6,8-9,13-14H2,1-2H3/t16-/m0/s1.
What are the key properties of N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide?
N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide has a molecular weight of 327.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide is sourced from PubChem (CID 124997513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).