N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide

C16H19N3O2 — CID 82022480

IUPACN-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NCC(C)O)nc1
InChIInChI=1S/C16H19N3O2/c1-11-5-3-4-6-14(11)16(21)19-13-7-8-15(18-10-13)17-9-12(2)20/h3-8,10,12,20H,9H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyLODZUINOVQVJGM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.44
Rot. Bonds5

About N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide

N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide (PubChem CID 82022480) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide
PubChem CID82022480
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NCC(C)O)nc1
InChIInChI=1S/C16H19N3O2/c1-11-5-3-4-6-14(11)16(21)19-13-7-8-15(18-10-13)17-9-12(2)20/h3-8,10,12,20H,9H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyLODZUINOVQVJGM-UHFFFAOYSA-N
XLogP2.44
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022490
2-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012661
2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023560
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113012276
2-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023425
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
CID 82022486
N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide
CID 113019208
N-[4-(1-hydroxyethyl)phenyl]-2-methylbenzamide
CID 43417161
N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
CID 113020395
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide
CID 113010234
2-methyl-N-[5-(4-methylanilino)-2-pyridinyl]benzamide
CID 113031534
2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010719

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide?
The IUPAC name of N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide (CID 82022480) is N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide?
The canonical SMILES for N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(NCC(C)O)nc1.
What is the InChIKey of N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide?
The InChIKey is LODZUINOVQVJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-5-3-4-6-14(11)16(21)19-13-7-8-15(18-10-13)17-9-12(2)20/h3-8,10,12,20H,9H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide?
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 82022480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).