N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide

C29H28N4O3 — CID 59118115

IUPACN-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc3c(c2)CC[C@H](CNC[C@H](O)c2cccnc2)O3)nc1)c1ccccc1
InChIInChI=1S/C29H28N4O3/c34-27(23-7-4-14-30-16-23)19-31-18-25-11-8-22-15-21(9-13-28(22)36-25)26-12-10-24(17-32-26)33-29(35)20-5-2-1-3-6-20/h1-7,9-10,12-17,25,27,31,34H,8,11,18-19H2,(H,33,35)/t25-,27+/m1/s1
InChIKeyPQBHABMNIYEECB-VPUSJEBWSA-N
MW480.57 g/mol
LogP4.41
Rot. Bonds8

About N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide

N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide (PubChem CID 59118115) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide
PubChem CID59118115
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC NameN-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc3c(c2)CC[C@H](CNC[C@H](O)c2cccnc2)O3)nc1)c1ccccc1
InChIInChI=1S/C29H28N4O3/c34-27(23-7-4-14-30-16-23)19-31-18-25-11-8-22-15-21(9-13-28(22)36-25)26-12-10-24(17-32-26)33-29(35)20-5-2-1-3-6-20/h1-7,9-10,12-17,25,27,31,34H,8,11,18-19H2,(H,33,35)/t25-,27+/m1/s1
InChIKeyPQBHABMNIYEECB-VPUSJEBWSA-N
XLogP4.41
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol
CID 20815636
2-[[6-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol
CID 142182103
4-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-(4-methylphenyl)benzoic acid
CID 10278315
1-(4-fluorophenyl)-3-[3-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]phenyl]sulfonylurea
CID 59118184
(2R)-2-[[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-sulfonic acid
CID 87711514
(2R)-2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromene-6-sulfonic acid
CID 87711513
N-[4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]phenyl]sulfonyl-4-methoxybenzamide
CID 22351373
N-(4-cyanophenyl)-4-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzenesulfonamide
CID 59118197
N-(1,2-dihydropyrimidin-2-yl)-4-[(2S)-2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzenesulfonamide
CID 163707940
N-(4,6-dimethoxypyrimidin-2-yl)-4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzenesulfonamide
CID 20815748
N-(4-cyanophenyl)-5-[2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-methoxybenzenesulfonamide
CID 59118187
N-(2-cyano-4-nitrophenyl)-3-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzenesulfonamide
CID 20815739

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide (CID 59118115) is N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide is O=C(Nc1ccc(-c2ccc3c(c2)CC[C@H](CNC[C@H](O)c2cccnc2)O3)nc1)c1ccccc1.
What is the InChIKey of N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide?
The InChIKey is PQBHABMNIYEECB-VPUSJEBWSA-N. The full InChI is InChI=1S/C29H28N4O3/c34-27(23-7-4-14-30-16-23)19-31-18-25-11-8-22-15-21(9-13-28(22)36-25)26-12-10-24(17-32-26)33-29(35)20-5-2-1-3-6-20/h1-7,9-10,12-17,25,27,31,34H,8,11,18-19H2,(H,33,35)/t25-,27+/m1/s1.
What are the key properties of N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide?
N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide has a molecular weight of 480.57 g/mol, XLogP of 4.41, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-2-[[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 59118115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).