4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide

C17H25N5O — CID 95722888

IUPAC4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCc1cc(C)n(C[C@@H](C)Nc2ccnc(C(=O)NC(C)C)c2)n1
InChIInChI=1S/C17H25N5O/c1-11(2)19-17(23)16-9-15(6-7-18-16)20-13(4)10-22-14(5)8-12(3)21-22/h6-9,11,13H,10H2,1-5H3,(H,18,20)(H,19,23)/t13-/m1/s1
InChIKeySNSKCCDHXVMPIF-CYBMUJFWSA-N
MW315.42 g/mol
LogP2.53
Rot. Bonds6

About 4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide

4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 95722888) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide
PubChem CID95722888
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCc1cc(C)n(C[C@@H](C)Nc2ccnc(C(=O)NC(C)C)c2)n1
InChIInChI=1S/C17H25N5O/c1-11(2)19-17(23)16-9-15(6-7-18-16)20-13(4)10-22-14(5)8-12(3)21-22/h6-9,11,13H,10H2,1-5H3,(H,18,20)(H,19,23)/t13-/m1/s1
InChIKeySNSKCCDHXVMPIF-CYBMUJFWSA-N
XLogP2.53
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide with MolForge

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Related Compounds

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CID 94732274
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N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
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3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid
CID 43517687
4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 56901236
4-(1-methoxypropan-2-ylamino)-N-methylpyridine-2-carboxamide
CID 43395783
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-methoxy-4-nitroaniline
CID 75374087
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-methoxy-4-nitroaniline
CID 97217982
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide
CID 63925495

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide (CID 95722888) is 4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide is Cc1cc(C)n(C[C@@H](C)Nc2ccnc(C(=O)NC(C)C)c2)n1.
What is the InChIKey of 4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is SNSKCCDHXVMPIF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11(2)19-17(23)16-9-15(6-7-18-16)20-13(4)10-22-14(5)8-12(3)21-22/h6-9,11,13H,10H2,1-5H3,(H,18,20)(H,19,23)/t13-/m1/s1.
What are the key properties of 4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide?
4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 95722888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).