N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide

C24H30N6O3 — CID 163699537

IUPACN-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)noc2C)cn1)C1CCCCC1
InChIInChI=1S/C24H30N6O3/c1-4-30-19(12-13-26-30)23(31)28-22(17-8-6-5-7-9-17)24(32)27-20-11-10-18(14-25-20)21-15(2)29-33-16(21)3/h10-14,17,22H,4-9H2,1-3H3,(H,28,31)(H,25,27,32)/t22-/m0/s1
InChIKeyJZUOYQQSPXESAX-QFIPXVFZSA-N
MW450.54 g/mol
LogP3.89
Rot. Bonds7

About N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide

N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 163699537) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
PubChem CID163699537
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC NameN-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)noc2C)cn1)C1CCCCC1
InChIInChI=1S/C24H30N6O3/c1-4-30-19(12-13-26-30)23(31)28-22(17-8-6-5-7-9-17)24(32)27-20-11-10-18(14-25-20)21-15(2)29-33-16(21)3/h10-14,17,22H,4-9H2,1-3H3,(H,28,31)(H,25,27,32)/t22-/m0/s1
InChIKeyJZUOYQQSPXESAX-QFIPXVFZSA-N
XLogP3.89
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide (CID 163699537) is N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)noc2C)cn1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is JZUOYQQSPXESAX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-4-30-19(12-13-26-30)23(31)28-22(17-8-6-5-7-9-17)24(32)27-20-11-10-18(14-25-20)21-15(2)29-33-16(21)3/h10-14,17,22H,4-9H2,1-3H3,(H,28,31)(H,25,27,32)/t22-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide?
N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 163699537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).