N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C18H22N4O2 — CID 68712699

IUPACN-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C18H22N4O2/c23-18(21-11-14-3-2-10-24-14)22-8-5-13(6-9-22)16-12-20-17-15(16)4-1-7-19-17/h1,4-5,7,12,14H,2-3,6,8-11H2,(H,19,20)(H,21,23)/t14-/m0/s1
InChIKeyXGJRMARHXIYXSR-AWEZNQCLSA-N
MW326.40 g/mol
LogP2.54
Rot. Bonds3

About N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 68712699) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID68712699
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C18H22N4O2/c23-18(21-11-14-3-2-10-24-14)22-8-5-13(6-9-22)16-12-20-17-15(16)4-1-7-19-17/h1,4-5,7,12,14H,2-3,6,8-11H2,(H,19,20)(H,21,23)/t14-/m0/s1
InChIKeyXGJRMARHXIYXSR-AWEZNQCLSA-N
XLogP2.54
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68710122
N-[2-(4-fluorophenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44632510
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24676151
N-[(2-methoxyphenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634277
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
CID 75466601
N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(7-ethyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 97194159
1-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55888396
N-(4-acetamido-3,5-dimethylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 154807514
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 24676138
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44632631
(3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24632252
benzyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 44633230

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 68712699) is N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NC[C@@H]1CCCO1)N1CC=C(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is XGJRMARHXIYXSR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(21-11-14-3-2-10-24-14)22-8-5-13(6-9-22)16-12-20-17-15(16)4-1-7-19-17/h1,4-5,7,12,14H,2-3,6,8-11H2,(H,19,20)(H,21,23)/t14-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 68712699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).