6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide

C21H28N4O2 — CID 117085631

IUPAC6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide
SMILESCC(C)N(CCNC(=O)c1cccc(-c2ccc(C(N)=O)cc2)n1)C(C)C
InChIInChI=1S/C21H28N4O2/c1-14(2)25(15(3)4)13-12-23-21(27)19-7-5-6-18(24-19)16-8-10-17(11-9-16)20(22)26/h5-11,14-15H,12-13H2,1-4H3,(H2,22,26)(H,23,27)
InChIKeyQTJWSTSRVYOVBV-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.70
Rot. Bonds8

About 6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide

6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide (PubChem CID 117085631) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide
PubChem CID117085631
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide
SMILESCC(C)N(CCNC(=O)c1cccc(-c2ccc(C(N)=O)cc2)n1)C(C)C
InChIInChI=1S/C21H28N4O2/c1-14(2)25(15(3)4)13-12-23-21(27)19-7-5-6-18(24-19)16-8-10-17(11-9-16)20(22)26/h5-11,14-15H,12-13H2,1-4H3,(H2,22,26)(H,23,27)
InChIKeyQTJWSTSRVYOVBV-UHFFFAOYSA-N
XLogP2.70
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide (CID 117085631) is 6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide is CC(C)N(CCNC(=O)c1cccc(-c2ccc(C(N)=O)cc2)n1)C(C)C.
What is the InChIKey of 6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide?
The InChIKey is QTJWSTSRVYOVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14(2)25(15(3)4)13-12-23-21(27)19-7-5-6-18(24-19)16-8-10-17(11-9-16)20(22)26/h5-11,14-15H,12-13H2,1-4H3,(H2,22,26)(H,23,27).
What are the key properties of 6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide?
6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carbamoylphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 117085631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).