N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide

C23H26N4O2 — CID 25153925

IUPACN-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide
SMILESCOCC(C)NCc1ccc(C(=O)Nc2nc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C23H26N4O2/c1-16(15-29-2)25-14-17-8-10-19(11-9-17)23(28)27-22-20(24)12-13-21(26-22)18-6-4-3-5-7-18/h3-13,16,25H,14-15,24H2,1-2H3,(H,26,27,28)
InChIKeyJQBSJCUHDBAHOY-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.71
Rot. Bonds8

About N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide

N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide (PubChem CID 25153925) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide
PubChem CID25153925
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide
SMILESCOCC(C)NCc1ccc(C(=O)Nc2nc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C23H26N4O2/c1-16(15-29-2)25-14-17-8-10-19(11-9-17)23(28)27-22-20(24)12-13-21(26-22)18-6-4-3-5-7-18/h3-13,16,25H,14-15,24H2,1-2H3,(H,26,27,28)
InChIKeyJQBSJCUHDBAHOY-UHFFFAOYSA-N
XLogP3.71
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-6-phenyl-2-pyridinyl)-4-[(2-methoxypropylamino)methyl]benzamide
CID 68727277
tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25150915
[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid
CID 68783766
N-(3-amino-6-phenyl-2-pyridinyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide
CID 25153720
N-(3-amino-6-phenyl-2-pyridinyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide
CID 25153718
pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25153921
[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-2-ylmethyl)carbamic acid
CID 68779859
N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 146525533
[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
CID 68723870
4-[(1-methoxypropan-2-ylamino)methyl]aniline
CID 82670046
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292
4-[(4-methoxybutan-2-ylamino)methyl]benzoic acid
CID 64605268

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide?
The IUPAC name of N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide (CID 25153925) is N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide.
What is the SMILES notation for N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide?
The canonical SMILES for N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide is COCC(C)NCc1ccc(C(=O)Nc2nc(-c3ccccc3)ccc2N)cc1.
What is the InChIKey of N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide?
The InChIKey is JQBSJCUHDBAHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(15-29-2)25-14-17-8-10-19(11-9-17)23(28)27-22-20(24)12-13-21(26-22)18-6-4-3-5-7-18/h3-13,16,25H,14-15,24H2,1-2H3,(H,26,27,28).
What are the key properties of N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide?
N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-6-phenyl-2-pyridinyl)-4-[(1-methoxypropan-2-ylamino)methyl]benzamide is sourced from PubChem (CID 25153925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).