N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide

C19H16ClN5O3 — CID 167046507

IUPACN-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](CO)c2nc(-c3c[nH]c4ccc(Cl)cc34)no2)nc1
InChIInChI=1S/C19H16ClN5O3/c1-10-2-4-15(21-7-10)18(27)23-16(9-26)19-24-17(25-28-19)13-8-22-14-5-3-11(20)6-12(13)14/h2-8,16,22,26H,9H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyWHOJVHWQRGVOLJ-INIZCTEOSA-N
MW397.82 g/mol
LogP3.04
Rot. Bonds5

About N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide

N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide (PubChem CID 167046507) has the molecular formula C19H16ClN5O3 and a molecular weight of 397.82 g/mol. Its IUPAC name is N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide
PubChem CID167046507
Molecular FormulaC19H16ClN5O3
Molecular Weight397.82 g/mol
Exact Mass397.09
IUPAC NameN-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](CO)c2nc(-c3c[nH]c4ccc(Cl)cc34)no2)nc1
InChIInChI=1S/C19H16ClN5O3/c1-10-2-4-15(21-7-10)18(27)23-16(9-26)19-24-17(25-28-19)13-8-22-14-5-3-11(20)6-12(13)14/h2-8,16,22,26H,9H2,1H3,(H,23,27)/t16-/m0/s1
InChIKeyWHOJVHWQRGVOLJ-INIZCTEOSA-N
XLogP3.04
TPSA116.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide (CID 167046507) is N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide is Cc1ccc(C(=O)N[C@@H](CO)c2nc(-c3c[nH]c4ccc(Cl)cc34)no2)nc1.
What is the InChIKey of N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide?
The InChIKey is WHOJVHWQRGVOLJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16ClN5O3/c1-10-2-4-15(21-7-10)18(27)23-16(9-26)19-24-17(25-28-19)13-8-22-14-5-3-11(20)6-12(13)14/h2-8,16,22,26H,9H2,1H3,(H,23,27)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide?
N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide has a molecular weight of 397.82 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 167046507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).