1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide

C16H22N4O2 — CID 77093642

IUPAC1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide
SMILESCCn1ccc(C(=O)N(C)Cc2cnn(C(C)C)c2)cc1=O
InChIInChI=1S/C16H22N4O2/c1-5-19-7-6-14(8-15(19)21)16(22)18(4)10-13-9-17-20(11-13)12(2)3/h6-9,11-12H,5,10H2,1-4H3
InChIKeyGLCSVHPKVPNLET-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.92
Rot. Bonds5

About 1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide

1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 77093642) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide
PubChem CID77093642
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide
SMILESCCn1ccc(C(=O)N(C)Cc2cnn(C(C)C)c2)cc1=O
InChIInChI=1S/C16H22N4O2/c1-5-19-7-6-14(8-15(19)21)16(22)18(4)10-13-9-17-20(11-13)12(2)3/h6-9,11-12H,5,10H2,1-4H3
InChIKeyGLCSVHPKVPNLET-UHFFFAOYSA-N
XLogP1.92
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 31845207
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 31846147
1-(2-methoxyethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 32358744
1-Methyl-4-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 53570676
4-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
CID 56802277
3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 71878621
6-methyl-1-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2(1H)-one
CID 72886307
1-methyl-N-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 75461476
N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide
CID 97390065
1-(Cyclopropylmethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97390071
1-[2-(Dimethylamino)ethyl]-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466790
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45814898

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide (CID 77093642) is 1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide is CCn1ccc(C(=O)N(C)Cc2cnn(C(C)C)c2)cc1=O.
What is the InChIKey of 1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is GLCSVHPKVPNLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-5-19-7-6-14(8-15(19)21)16(22)18(4)10-13-9-17-20(11-13)12(2)3/h6-9,11-12H,5,10H2,1-4H3.
What are the key properties of 1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide?
1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 77093642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).