N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide

C28H34N4O2 — CID 10456868

IUPACN-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC(CNC(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C28H34N4O2/c1-19(2)23-13-10-14-24(20(3)4)26(23)32-28(34)31-18-22(21-11-6-5-7-12-21)17-30-27(33)25-15-8-9-16-29-25/h5-16,19-20,22H,17-18H2,1-4H3,(H,30,33)(H2,31,32,34)
InChIKeyCPKWAHZFDTVKBO-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.66
Rot. Bonds9

About N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide

N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide (PubChem CID 10456868) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide
PubChem CID10456868
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC(CNC(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C28H34N4O2/c1-19(2)23-13-10-14-24(20(3)4)26(23)32-28(34)31-18-22(21-11-6-5-7-12-21)17-30-27(33)25-15-8-9-16-29-25/h5-16,19-20,22H,17-18H2,1-4H3,(H,30,33)(H2,31,32,34)
InChIKeyCPKWAHZFDTVKBO-UHFFFAOYSA-N
XLogP5.66
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide (CID 10456868) is N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)NCC(CNC(=O)c1ccccn1)c1ccccc1.
What is the InChIKey of N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide?
The InChIKey is CPKWAHZFDTVKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-19(2)23-13-10-14-24(20(3)4)26(23)32-28(34)31-18-22(21-11-6-5-7-12-21)17-30-27(33)25-15-8-9-16-29-25/h5-16,19-20,22H,17-18H2,1-4H3,(H,30,33)(H2,31,32,34).
What are the key properties of N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide?
N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 5.66, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-phenylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 10456868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).