N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C20H29N5O — CID 91760004

IUPACN-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NCC2CCCN(c3ccccn3)C2)c(C)c1C
InChIInChI=1S/C20H29N5O/c1-15-16(2)23-25(17(15)3)12-9-20(26)22-13-18-7-6-11-24(14-18)19-8-4-5-10-21-19/h4-5,8,10,18H,6-7,9,11-14H2,1-3H3,(H,22,26)
InChIKeyHUANFCQBOZMBHU-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.63
Rot. Bonds6

About N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 91760004) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID91760004
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NCC2CCCN(c3ccccn3)C2)c(C)c1C
InChIInChI=1S/C20H29N5O/c1-15-16(2)23-25(17(15)3)12-9-20(26)22-13-18-7-6-11-24(14-18)19-8-4-5-10-21-19/h4-5,8,10,18H,6-7,9,11-14H2,1-3H3,(H,22,26)
InChIKeyHUANFCQBOZMBHU-UHFFFAOYSA-N
XLogP2.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide with MolForge

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Related Compounds

3-(methanesulfonamido)-N-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]propanamide
CID 124749653
N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 91789394
2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide
CID 91779081
1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 90648225
1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
CID 72923083
3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide
CID 134081045
6-cyano-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 91844279
6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 124752431
(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 99957148
(3R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 99957145
N,1,3-trimethyl-N-(1-pyridin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 110107211
N,1,3-trimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-4-carboxamide
CID 124986213

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 91760004) is N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1nn(CCC(=O)NCC2CCCN(c3ccccn3)C2)c(C)c1C.
What is the InChIKey of N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is HUANFCQBOZMBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15-16(2)23-25(17(15)3)12-9-20(26)22-13-18-7-6-11-24(14-18)19-8-4-5-10-21-19/h4-5,8,10,18H,6-7,9,11-14H2,1-3H3,(H,22,26).
What are the key properties of N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 355.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 91760004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).