N-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide

C20H28N4O2 — CID 71089720

IUPACN-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)n1
InChIInChI=1S/C20H28N4O2/c1-2-6-22-16-5-3-4-15(23-16)18(25)24-17-13-7-12-8-14(17)11-20(9-12,10-13)19(21)26/h3-5,12-14,17H,2,6-11H2,1H3,(H2,21,26)(H,22,23)(H,24,25)
InChIKeyCTMZFUREZRXDEV-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.31
Rot. Bonds6

About N-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide

N-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 71089720) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID71089720
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)n1
InChIInChI=1S/C20H28N4O2/c1-2-6-22-16-5-3-4-15(23-16)18(25)24-17-13-7-12-8-14(17)11-20(9-12,10-13)19(21)26/h3-5,12-14,17H,2,6-11H2,1H3,(H2,21,26)(H,22,23)(H,24,25)
InChIKeyCTMZFUREZRXDEV-UHFFFAOYSA-N
XLogP2.31
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide
CID 71089639
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-(propylamino)pyridine-2-carboxamide
CID 63684659
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
N-(2-methoxycyclopentyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240332
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-(propylamino)pyridine-2-carboxamide
CID 105420352
N-(1-methyl-6-oxopiperidin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 64669855
N-(2,6-dimethylpiperidin-1-yl)-6-(propylamino)pyridine-2-carboxamide
CID 83015635
N-butan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62241135
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 107643149
N-[2-(ethylamino)-2-oxoethyl]-6-(propylamino)pyridine-2-carboxamide
CID 55052141
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 114389388
N-[(1R,3S)-5-carbamoyl-2-adamantyl]-5-(2-chlorophenyl)-1-methylpyrrole-2-carboxamide
CID 71479373

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide (CID 71089720) is N-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)n1.
What is the InChIKey of N-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is CTMZFUREZRXDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-2-6-22-16-5-3-4-15(23-16)18(25)24-17-13-7-12-8-14(17)11-20(9-12,10-13)19(21)26/h3-5,12-14,17H,2,6-11H2,1H3,(H2,21,26)(H,22,23)(H,24,25).
What are the key properties of N-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide?
N-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-adamantyl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 71089720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).