(2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide

C21H25N5O — CID 97129057

IUPAC(2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1cccnc1CN(Cc1ccccc1)C(=O)[C@@H](N)c1c(C)n[nH]c1C
InChIInChI=1S/C21H25N5O/c1-14-8-7-11-23-18(14)13-26(12-17-9-5-4-6-10-17)21(27)20(22)19-15(2)24-25-16(19)3/h4-11,20H,12-13,22H2,1-3H3,(H,24,25)/t20-/m0/s1
InChIKeyKZXKFECPEAJRMT-FQEVSTJZSA-N
MW363.46 g/mol
LogP2.96
Rot. Bonds6

About (2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide

(2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide (PubChem CID 97129057) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is (2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
PubChem CID97129057
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC Name(2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1cccnc1CN(Cc1ccccc1)C(=O)[C@@H](N)c1c(C)n[nH]c1C
InChIInChI=1S/C21H25N5O/c1-14-8-7-11-23-18(14)13-26(12-17-9-5-4-6-10-17)21(27)20(22)19-15(2)24-25-16(19)3/h4-11,20H,12-13,22H2,1-3H3,(H,24,25)/t20-/m0/s1
InChIKeyKZXKFECPEAJRMT-FQEVSTJZSA-N
XLogP2.96
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 50953285
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CID 97132419
N-benzyl-N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
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2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119869371
2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 112650853
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 91770336
1-(3-methyl-2-pyridinyl)-5-phenylpentan-2-ol
CID 66459697
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride
CID 146479339

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of (2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide (CID 97129057) is (2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for (2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for (2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide is Cc1cccnc1CN(Cc1ccccc1)C(=O)[C@@H](N)c1c(C)n[nH]c1C.
What is the InChIKey of (2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
The InChIKey is KZXKFECPEAJRMT-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-8-7-11-23-18(14)13-26(12-17-9-5-4-6-10-17)21(27)20(22)19-15(2)24-25-16(19)3/h4-11,20H,12-13,22H2,1-3H3,(H,24,25)/t20-/m0/s1.
What are the key properties of (2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide?
(2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-benzyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 97129057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).