N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide

C22H31N3O — CID 112800397

IUPACN-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C22H31N3O/c1-24(15-22-12-16-8-17(13-22)10-18(9-16)14-22)21(26)20-11-19(4-5-23-20)25-6-2-3-7-25/h4-5,11,16-18H,2-3,6-10,12-15H2,1H3
InChIKeyHSVOXKLQDWGHDA-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.97
Rot. Bonds4

About N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide

N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 112800397) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID112800397
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C22H31N3O/c1-24(15-22-12-16-8-17(13-22)10-18(9-16)14-22)21(26)20-11-19(4-5-23-20)25-6-2-3-7-25/h4-5,11,16-18H,2-3,6-10,12-15H2,1H3
InChIKeyHSVOXKLQDWGHDA-UHFFFAOYSA-N
XLogP3.97
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 112800397) is N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(N2CCCC2)ccn1.
What is the InChIKey of N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is HSVOXKLQDWGHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-24(15-22-12-16-8-17(13-22)10-18(9-16)14-22)21(26)20-11-19(4-5-23-20)25-6-2-3-7-25/h4-5,11,16-18H,2-3,6-10,12-15H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide?
N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 112800397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).