N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide

C24H27N3O2 — CID 17233954

IUPACN-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C24H27N3O2/c1-15-5-4-8-21(25-15)27-22(28)19-6-2-3-7-20(19)26-23(29)24-12-16-9-17(13-24)11-18(10-16)14-24/h2-8,16-18H,9-14H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyHIYWDTWZAQICHM-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.80
Rot. Bonds4

About N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide

N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide (PubChem CID 17233954) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide
PubChem CID17233954
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C24H27N3O2/c1-15-5-4-8-21(25-15)27-22(28)19-6-2-3-7-20(19)26-23(29)24-12-16-9-17(13-24)11-18(10-16)14-24/h2-8,16-18H,9-14H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyHIYWDTWZAQICHM-UHFFFAOYSA-N
XLogP4.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide (CID 17233954) is N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The InChIKey is HIYWDTWZAQICHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-15-5-4-8-21(25-15)27-22(28)19-6-2-3-7-20(19)26-23(29)24-12-16-9-17(13-24)11-18(10-16)14-24/h2-8,16-18H,9-14H2,1H3,(H,26,29)(H,25,27,28).
What are the key properties of N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide?
N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 17233954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).