N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide

C14H18N4O — CID 124567895

IUPACN-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
SMILESC[C@@H](NC(=O)CCc1ccccn1)c1cnn(C)c1
InChIInChI=1S/C14H18N4O/c1-11(12-9-16-18(2)10-12)17-14(19)7-6-13-5-3-4-8-15-13/h3-5,8-11H,6-7H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyRFLKXPOGJUNWMF-LLVKDONJSA-N
MW258.32 g/mol
LogP1.63
Rot. Bonds5

About N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide

N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide (PubChem CID 124567895) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
PubChem CID124567895
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
SMILESC[C@@H](NC(=O)CCc1ccccn1)c1cnn(C)c1
InChIInChI=1S/C14H18N4O/c1-11(12-9-16-18(2)10-12)17-14(19)7-6-13-5-3-4-8-15-13/h3-5,8-11H,6-7H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyRFLKXPOGJUNWMF-LLVKDONJSA-N
XLogP1.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[1-(1-methylpyrazol-4-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 120550055
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 95906018
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 115289665
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532
1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one
CID 103023920
N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide
CID 81043461
N-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 97306373
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 115289633
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 97347944
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide (CID 124567895) is N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide is C[C@@H](NC(=O)CCc1ccccn1)c1cnn(C)c1.
What is the InChIKey of N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide?
The InChIKey is RFLKXPOGJUNWMF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(12-9-16-18(2)10-12)17-14(19)7-6-13-5-3-4-8-15-13/h3-5,8-11H,6-7H2,1-2H3,(H,17,19)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide?
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 124567895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).