N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide

C15H21N5O — CID 87040695

IUPACN-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)NCc2ccnc(N(C)C)c2)c1
InChIInChI=1S/C15H21N5O/c1-12-9-18-20(11-12)7-5-15(21)17-10-13-4-6-16-14(8-13)19(2)3/h4,6,8-9,11H,5,7,10H2,1-3H3,(H,17,21)
InChIKeyCIICDNNYLHDDRX-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.36
Rot. Bonds6

About N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 87040695) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID87040695
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)NCc2ccnc(N(C)C)c2)c1
InChIInChI=1S/C15H21N5O/c1-12-9-18-20(11-12)7-5-15(21)17-10-13-4-6-16-14(8-13)19(2)3/h4,6,8-9,11H,5,7,10H2,1-3H3,(H,17,21)
InChIKeyCIICDNNYLHDDRX-UHFFFAOYSA-N
XLogP1.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 87042762
3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 87039778
3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 87040823
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 55637121
3-(4-methylpyrazol-1-yl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626511
2-(4-bromophenyl)sulfanyl-N-[[2-(dimethylamino)-4-pyridinyl]methyl]acetamide
CID 46414907
3-(4-methylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19559644
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide
CID 47028147
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 86994177
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]acetamide
CID 97311356
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111244873
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71894772

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide (CID 87040695) is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)NCc2ccnc(N(C)C)c2)c1.
What is the InChIKey of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is CIICDNNYLHDDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-9-18-20(11-12)7-5-15(21)17-10-13-4-6-16-14(8-13)19(2)3/h4,6,8-9,11H,5,7,10H2,1-3H3,(H,17,21).
What are the key properties of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 287.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 87040695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).