4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide

C20H19N3O2 — CID 99947108

IUPAC4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide
SMILESCc1ccccc1[C@H](NC(=O)c1cc(CO)ccn1)c1ccncc1
InChIInChI=1S/C20H19N3O2/c1-14-4-2-3-5-17(14)19(16-7-9-21-10-8-16)23-20(25)18-12-15(13-24)6-11-22-18/h2-12,19,24H,13H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyVBKZBZNKNASODB-LJQANCHMSA-N
MW333.39 g/mol
LogP2.80
Rot. Bonds5

About 4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide

4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide (PubChem CID 99947108) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide
PubChem CID99947108
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide
SMILESCc1ccccc1[C@H](NC(=O)c1cc(CO)ccn1)c1ccncc1
InChIInChI=1S/C20H19N3O2/c1-14-4-2-3-5-17(14)19(16-7-9-21-10-8-16)23-20(25)18-12-15(13-24)6-11-22-18/h2-12,19,24H,13H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyVBKZBZNKNASODB-LJQANCHMSA-N
XLogP2.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
5-acetyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]thiophene-3-carboxamide
CID 16677418
5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
CID 50976747
5-methyl-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 51495923
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 16677411
3-methoxy-2,2-dimethyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]propanamide
CID 118784920
2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 126423419
N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
CID 47007723
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 77095713
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118789936
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide (CID 99947108) is 4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide is Cc1ccccc1[C@H](NC(=O)c1cc(CO)ccn1)c1ccncc1.
What is the InChIKey of 4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide?
The InChIKey is VBKZBZNKNASODB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-4-2-3-5-17(14)19(16-7-9-21-10-8-16)23-20(25)18-12-15(13-24)6-11-22-18/h2-12,19,24H,13H2,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of 4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide?
4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide is sourced from PubChem (CID 99947108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).