2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide

C18H27N3O3 — CID 97319425

IUPAC2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H](O)COCC1CC1)c1cccnc1NC1CCCC1
InChIInChI=1S/C18H27N3O3/c22-15(12-24-11-13-7-8-13)10-20-18(23)16-6-3-9-19-17(16)21-14-4-1-2-5-14/h3,6,9,13-15,22H,1-2,4-5,7-8,10-12H2,(H,19,21)(H,20,23)/t15-/m1/s1
InChIKeyNDKDICNCGXUHLA-OAHLLOKOSA-N
MW333.43 g/mol
LogP1.95
Rot. Bonds9

About 2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide

2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide (PubChem CID 97319425) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide
PubChem CID97319425
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H](O)COCC1CC1)c1cccnc1NC1CCCC1
InChIInChI=1S/C18H27N3O3/c22-15(12-24-11-13-7-8-13)10-20-18(23)16-6-3-9-19-17(16)21-14-4-1-2-5-14/h3,6,9,13-15,22H,1-2,4-5,7-8,10-12H2,(H,19,21)(H,20,23)/t15-/m1/s1
InChIKeyNDKDICNCGXUHLA-OAHLLOKOSA-N
XLogP1.95
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-[6-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146592641
6-(Cyclopentylamino)pyridine-3-Carboxamide
CID 112722808
6-{[(1r,3r)-3-Hydroxycyclopentyl]amino}pyridine-3-Carboxamide
CID 118796821
3-Methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 644480
3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 649988
2-Azepan-1-yl-N-cyclopentyl-nicotinamide
CID 650023
2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3201364
N-isopropyl-6-morpholinonicotinamide
CID 3809944
(R)-N-(1-cyanopyrrolidin-3-yl)-6-morpholinonicotinamide
CID 122590746
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 146592627
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
CID 146637375
2-(2-Fluoro-phenylamino)-N-(tetrahydro-furan-2-ylmethyl)-nicotinamide
CID 651193

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide (CID 97319425) is 2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide is O=C(NC[C@@H](O)COCC1CC1)c1cccnc1NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide?
The InChIKey is NDKDICNCGXUHLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-15(12-24-11-13-7-8-13)10-20-18(23)16-6-3-9-19-17(16)21-14-4-1-2-5-14/h3,6,9,13-15,22H,1-2,4-5,7-8,10-12H2,(H,19,21)(H,20,23)/t15-/m1/s1.
What are the key properties of 2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide?
2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 97319425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).