N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide

C22H25N5O3 — CID 110246744

IUPACN-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)Cn1cccc(C(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C22H25N5O3/c1-15(19-13-26(3)25-16(19)2)24-20(28)14-27-11-7-10-18(22(27)30)21(29)23-12-17-8-5-4-6-9-17/h4-11,13,15H,12,14H2,1-3H3,(H,23,29)(H,24,28)
InChIKeyRRTBOADMDQKTAP-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.70
Rot. Bonds7

About N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide

N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide (PubChem CID 110246744) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
PubChem CID110246744
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)Cn1cccc(C(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C22H25N5O3/c1-15(19-13-26(3)25-16(19)2)24-20(28)14-27-11-7-10-18(22(27)30)21(29)23-12-17-8-5-4-6-9-17/h4-11,13,15H,12,14H2,1-3H3,(H,23,29)(H,24,28)
InChIKeyRRTBOADMDQKTAP-UHFFFAOYSA-N
XLogP1.70
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635339
1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 92635819
N-[(4-fluorophenyl)methyl]-2-oxo-1-[2-oxo-2-(1-pyridin-2-ylethylamino)ethyl]pyridine-3-carboxamide
CID 110246790
1-[2-(1-cyclopropylethylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110246763
N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92635934
N-(cyclopropylmethyl)-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635517
2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
CID 119741052
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide
CID 19466973
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide
CID 79101821
N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 92614664
1-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 92635189
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 71991324

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide (CID 110246744) is N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide is Cc1nn(C)cc1C(C)NC(=O)Cn1cccc(C(=O)NCc2ccccc2)c1=O.
What is the InChIKey of N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is RRTBOADMDQKTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-15(19-13-26(3)25-16(19)2)24-20(28)14-27-11-7-10-18(22(27)30)21(29)23-12-17-8-5-4-6-9-17/h4-11,13,15H,12,14H2,1-3H3,(H,23,29)(H,24,28).
What are the key properties of N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110246744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).