N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide

C27H31N3O4 — CID 130406030

IUPACN-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide
SMILESCCOc1nc(OCc2ccccc2)ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1
InChIInChI=1S/C27H31N3O4/c1-2-33-27-24(12-13-25(30-27)34-18-19-8-4-3-5-9-19)26(32)29-17-23(31)16-28-22-14-20-10-6-7-11-21(20)15-22/h3-13,22-23,28,31H,2,14-18H2,1H3,(H,29,32)/t23-/m0/s1
InChIKeyGOIUXUCXGUGJEI-QHCPKHFHSA-N
MW461.56 g/mol
LogP2.91
Rot. Bonds11

About N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide

N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide (PubChem CID 130406030) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide
PubChem CID130406030
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC NameN-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide
SMILESCCOc1nc(OCc2ccccc2)ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1
InChIInChI=1S/C27H31N3O4/c1-2-33-27-24(12-13-25(30-27)34-18-19-8-4-3-5-9-19)26(32)29-17-23(31)16-28-22-14-20-10-6-7-11-21(20)15-22/h3-13,22-23,28,31H,2,14-18H2,1H3,(H,29,32)/t23-/m0/s1
InChIKeyGOIUXUCXGUGJEI-QHCPKHFHSA-N
XLogP2.91
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-4-(pyrrolidine-1-carbonyl)benzamide
CID 118929277
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-4-(morpholine-4-carbonyl)benzamide
CID 118929074
4-[[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid
CID 118918265
4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid
CID 118918219
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-4-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)benzamide
CID 118918169
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide
CID 118929134
6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide
CID 130406153
N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-4-(6-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)benzamide
CID 163875448
6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 130406155
2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 130421274
6-(4-acetylpiperazin-1-yl)-2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide
CID 155130966
3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide
CID 118929130

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide?
The IUPAC name of N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide (CID 130406030) is N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide is CCOc1nc(OCc2ccccc2)ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1.
What is the InChIKey of N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide?
The InChIKey is GOIUXUCXGUGJEI-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-2-33-27-24(12-13-25(30-27)34-18-19-8-4-3-5-9-19)26(32)29-17-23(31)16-28-22-14-20-10-6-7-11-21(20)15-22/h3-13,22-23,28,31H,2,14-18H2,1H3,(H,29,32)/t23-/m0/s1.
What are the key properties of N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide?
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 2.91, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide is sourced from PubChem (CID 130406030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).