N-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide

C23H29N5O3 — CID 155202848

IUPACN-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC(O)CCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H29N5O3/c1-15-14-31-21(17-6-7-22(24)26-11-17)13-28(15)12-18(29)8-9-25-23(30)20-10-16-4-2-3-5-19(16)27-20/h2-7,10-11,15,18,21,27,29H,8-9,12-14H2,1H3,(H2,24,26)(H,25,30)/t15-,18?,21+/m0/s1
InChIKeyQVJKSJKBVZSPPJ-LMONUYQQSA-N
MW423.52 g/mol
LogP2.09
Rot. Bonds7

About N-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide

N-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide (PubChem CID 155202848) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
PubChem CID155202848
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC(O)CCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H29N5O3/c1-15-14-31-21(17-6-7-22(24)26-11-17)13-28(15)12-18(29)8-9-25-23(30)20-10-16-4-2-3-5-19(16)27-20/h2-7,10-11,15,18,21,27,29H,8-9,12-14H2,1H3,(H2,24,26)(H,25,30)/t15-,18?,21+/m0/s1
InChIKeyQVJKSJKBVZSPPJ-LMONUYQQSA-N
XLogP2.09
TPSA116.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-Piperidinamine, N-ethyl-N-(3-(methoxymethyl)-2-pyridinyl)-1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-
CID 484353
Piperazine, 1-((6-(hydroxymethyl)-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 454734
N-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide
CID 155195311
4-Piperidinamine, N-(3-(methoxymethyl)-2-pyridinyl)-N-methyl-1-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-
CID 484351
Piperazine, 1-((6-methoxy-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453390
[2-({4-[[3-(Isopropylamino)pyridin-2-yl](methyl)amino]piperidin-1-yl}carbonyl)-1H-indol-6-yl]methanol
CID 462957
1H-indol-2-yl-[4-(3-isopropoxy-2-pyridyl)piperazin-1-yl]methanone
CID 468307
N-ethyl-4-(3-phenylmorpholin-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137650313
[4-[(3-ethoxy-2-pyridyl)-methyl-amino]-1-piperidyl]-(1H-indol-2-yl)methanone
CID 468316
1H-indol-2-yl-[4-[(3-isopropoxy-2-pyridyl)-methyl-amino]-1-piperidyl]methanone
CID 468317
N-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide
CID 155195449
N-[2-[(1S,2R)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide
CID 155195486

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide (CID 155202848) is N-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide is C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC(O)CCNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide?
The InChIKey is QVJKSJKBVZSPPJ-LMONUYQQSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15-14-31-21(17-6-7-22(24)26-11-17)13-28(15)12-18(29)8-9-25-23(30)20-10-16-4-2-3-5-19(16)27-20/h2-7,10-11,15,18,21,27,29H,8-9,12-14H2,1H3,(H2,24,26)(H,25,30)/t15-,18?,21+/m0/s1.
What are the key properties of N-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide?
N-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155202848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).