N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide

C30H34ClF3N6O3 — CID 58429140

IUPACN-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)N1CCCN(c2ccc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C30H34ClF3N6O3/c1-19-6-4-11-40(18-19)29-37-27(30(32,33)34)26(43-29)23(41)16-21-9-10-24(35-17-21)38-12-5-13-39(15-14-38)28(42)36-25-20(2)7-3-8-22(25)31/h3,7-10,17,19H,4-6,11-16,18H2,1-2H3,(H,36,42)
InChIKeyOUTDBQWCNWAKLB-UHFFFAOYSA-N
MW619.09 g/mol
LogP6.46
Rot. Bonds6

About N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide

N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide (PubChem CID 58429140) has the molecular formula C30H34ClF3N6O3 and a molecular weight of 619.09 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide
PubChem CID58429140
Molecular FormulaC30H34ClF3N6O3
Molecular Weight619.09 g/mol
Exact Mass618.23
IUPAC NameN-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)N1CCCN(c2ccc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C30H34ClF3N6O3/c1-19-6-4-11-40(18-19)29-37-27(30(32,33)34)26(43-29)23(41)16-21-9-10-24(35-17-21)38-12-5-13-39(15-14-38)28(42)36-25-20(2)7-3-8-22(25)31/h3,7-10,17,19H,4-6,11-16,18H2,1-2H3,(H,36,42)
InChIKeyOUTDBQWCNWAKLB-UHFFFAOYSA-N
XLogP6.46
TPSA94.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.09
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide (CID 58429140) is N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide is Cc1cccc(Cl)c1NC(=O)N1CCCN(c2ccc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)CC1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide?
The InChIKey is OUTDBQWCNWAKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClF3N6O3/c1-19-6-4-11-40(18-19)29-37-27(30(32,33)34)26(43-29)23(41)16-21-9-10-24(35-17-21)38-12-5-13-39(15-14-38)28(42)36-25-20(2)7-3-8-22(25)31/h3,7-10,17,19H,4-6,11-16,18H2,1-2H3,(H,36,42).
What are the key properties of N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide?
N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide has a molecular weight of 619.09 g/mol, XLogP of 6.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-4-[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 58429140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).