N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide

C20H23N5O — CID 99839436

IUPACN-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1-n1cccn1)[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C20H23N5O/c1-15(18(24(2)3)16-9-5-4-6-10-16)23-20(26)17-11-7-12-21-19(17)25-14-8-13-22-25/h4-15,18H,1-3H3,(H,23,26)/t15-,18+/m0/s1
InChIKeyPQOABADOFUANBF-MAUKXSAKSA-N
MW349.44 g/mol
LogP2.69
Rot. Bonds6

About N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide

N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 99839436) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID99839436
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1-n1cccn1)[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C20H23N5O/c1-15(18(24(2)3)16-9-5-4-6-10-16)23-20(26)17-11-7-12-21-19(17)25-14-8-13-22-25/h4-15,18H,1-3H3,(H,23,26)/t15-,18+/m0/s1
InChIKeyPQOABADOFUANBF-MAUKXSAKSA-N
XLogP2.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 38885280
N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-pyrazol-1-ylpyridine-3-carboxamide
CID 97227850
N-(cyclopropylmethyl)-N-methyl-2-pyrazol-1-ylpyridine-3-carboxamide
CID 75461699
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
2-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30884704
N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide
CID 124619228
4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid
CID 146153211
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide
CID 99785478
3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 62966283
2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 60748520
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[[cyclopropyl(methyl)amino]methyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 71768704

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide (CID 99839436) is N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide is C[C@H](NC(=O)c1cccnc1-n1cccn1)[C@H](c1ccccc1)N(C)C.
What is the InChIKey of N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is PQOABADOFUANBF-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15(18(24(2)3)16-9-5-4-6-10-16)23-20(26)17-11-7-12-21-19(17)25-14-8-13-22-25/h4-15,18H,1-3H3,(H,23,26)/t15-,18+/m0/s1.
What are the key properties of N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide?
N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 99839436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).