N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide

C18H22N4O2 — CID 57050532

IUPACN-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(-c2cc(C(=O)NCCC)ccn2)c1
InChIInChI=1S/C18H22N4O2/c1-3-7-21-17(23)13-5-9-19-15(11-13)16-12-14(6-10-20-16)18(24)22-8-4-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySLKYASFAJVMVTK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.42
Rot. Bonds7

About N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide

N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 57050532) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
PubChem CID57050532
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(-c2cc(C(=O)NCCC)ccn2)c1
InChIInChI=1S/C18H22N4O2/c1-3-7-21-17(23)13-5-9-19-15(11-13)16-12-14(6-10-20-16)18(24)22-8-4-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySLKYASFAJVMVTK-UHFFFAOYSA-N
XLogP2.42
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 23251114
N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 58451869
4-N-(2-methylpropyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077815
4-(4-methyl-2-pyridinyl)-N-propylbenzamide
CID 59673771
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
2-(4-ethylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077634
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62176334
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
2-N-methyl-2-N-phenyl-4-N-propylpyridine-2,4-dicarboxamide
CID 109077708
N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide
CID 10149325
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
6-(propylcarbamoyl)naphthalene-2-carboxylic acid
CID 139642234

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide (CID 57050532) is N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide is CCCNC(=O)c1ccnc(-c2cc(C(=O)NCCC)ccn2)c1.
What is the InChIKey of N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is SLKYASFAJVMVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-7-21-17(23)13-5-9-19-15(11-13)16-12-14(6-10-20-16)18(24)22-8-4-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide?
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 57050532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).