N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide

C17H25N3O2 — CID 56912622

IUPACN-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cc(N2CC[C@@H](O)C2)ccn1)C1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-19(13-5-3-2-4-6-13)17(22)16-11-14(7-9-18-16)20-10-8-15(21)12-20/h7,9,11,13,15,21H,2-6,8,10,12H2,1H3/t15-/m1/s1
InChIKeyCNKVVPPTUHITTQ-OAHLLOKOSA-N
MW303.41 g/mol
LogP2.06
Rot. Bonds3

About N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide

N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 56912622) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID56912622
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cc(N2CC[C@@H](O)C2)ccn1)C1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-19(13-5-3-2-4-6-13)17(22)16-11-14(7-9-18-16)20-10-8-15(21)12-20/h7,9,11,13,15,21H,2-6,8,10,12H2,1H3/t15-/m1/s1
InChIKeyCNKVVPPTUHITTQ-OAHLLOKOSA-N
XLogP2.06
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide
CID 62917818
N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
CID 94895221
N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide
CID 56899547
N-cycloheptyl-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62236519
N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide
CID 95846829
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 62063610
1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid
CID 43395822
N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574966
N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119441469
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid
CID 43620518

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide (CID 56912622) is N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide is CN(C(=O)c1cc(N2CC[C@@H](O)C2)ccn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is CNKVVPPTUHITTQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19(13-5-3-2-4-6-13)17(22)16-11-14(7-9-18-16)20-10-8-15(21)12-20/h7,9,11,13,15,21H,2-6,8,10,12H2,1H3/t15-/m1/s1.
What are the key properties of N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide?
N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 56912622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).