N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide

C21H29N5O3 — CID 92635339

IUPACN-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
SMILESCc1nn(C)cc1[C@H](C)NC(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C21H29N5O3/c1-14(18-12-25(3)24-15(18)2)22-19(27)13-26-11-7-10-17(21(26)29)20(28)23-16-8-5-4-6-9-16/h7,10-12,14,16H,4-6,8-9,13H2,1-3H3,(H,22,27)(H,23,28)/t14-/m0/s1
InChIKeyUAMDTNOMRMWWEW-AWEZNQCLSA-N
MW399.50 g/mol
LogP1.83
Rot. Bonds6

About N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide

N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide (PubChem CID 92635339) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
PubChem CID92635339
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
SMILESCc1nn(C)cc1[C@H](C)NC(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C21H29N5O3/c1-14(18-12-25(3)24-15(18)2)22-19(27)13-26-11-7-10-17(21(26)29)20(28)23-16-8-5-4-6-9-16/h7,10-12,14,16H,4-6,8-9,13H2,1-3H3,(H,22,27)(H,23,28)/t14-/m0/s1
InChIKeyUAMDTNOMRMWWEW-AWEZNQCLSA-N
XLogP1.83
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide (CID 92635339) is N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide is Cc1nn(C)cc1[C@H](C)NC(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O.
What is the InChIKey of N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is UAMDTNOMRMWWEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-14(18-12-25(3)24-15(18)2)22-19(27)13-26-11-7-10-17(21(26)29)20(28)23-16-8-5-4-6-9-16/h7,10-12,14,16H,4-6,8-9,13H2,1-3H3,(H,22,27)(H,23,28)/t14-/m0/s1.
What are the key properties of N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).