5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide

C31H35N5O5 — CID 90343688

IUPAC5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C[C@H](C)O)CC5)cc4)c3)c(OC)cc21
InChIInChI=1S/C31H35N5O5/c1-20(37)19-35-13-9-22(10-14-35)21-4-6-23(7-5-21)30(38)34-29-17-25(8-12-33-29)41-28-16-24-11-15-36(31(39)32-2)26(24)18-27(28)40-3/h4-8,11-12,15-18,20,22,37H,9-10,13-14,19H2,1-3H3,(H,32,39)(H,33,34,38)/t20-/m0/s1
InChIKeyNDGKJOZYVXRLGF-FQEVSTJZSA-N
MW557.65 g/mol
LogP4.84
Rot. Bonds8

About 5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide

5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide (PubChem CID 90343688) has the molecular formula C31H35N5O5 and a molecular weight of 557.65 g/mol. Its IUPAC name is 5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide
PubChem CID90343688
Molecular FormulaC31H35N5O5
Molecular Weight557.65 g/mol
Exact Mass557.26
IUPAC Name5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C[C@H](C)O)CC5)cc4)c3)c(OC)cc21
InChIInChI=1S/C31H35N5O5/c1-20(37)19-35-13-9-22(10-14-35)21-4-6-23(7-5-21)30(38)34-29-17-25(8-12-33-29)41-28-16-24-11-15-36(31(39)32-2)26(24)18-27(28)40-3/h4-8,11-12,15-18,20,22,37H,9-10,13-14,19H2,1-3H3,(H,32,39)(H,33,34,38)/t20-/m0/s1
InChIKeyNDGKJOZYVXRLGF-FQEVSTJZSA-N
XLogP4.84
TPSA117.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.65
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide?
The IUPAC name of 5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide (CID 90343688) is 5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide.
What is the SMILES notation for 5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide?
The canonical SMILES for 5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C[C@H](C)O)CC5)cc4)c3)c(OC)cc21.
What is the InChIKey of 5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide?
The InChIKey is NDGKJOZYVXRLGF-FQEVSTJZSA-N. The full InChI is InChI=1S/C31H35N5O5/c1-20(37)19-35-13-9-22(10-14-35)21-4-6-23(7-5-21)30(38)34-29-17-25(8-12-33-29)41-28-16-24-11-15-36(31(39)32-2)26(24)18-27(28)40-3/h4-8,11-12,15-18,20,22,37H,9-10,13-14,19H2,1-3H3,(H,32,39)(H,33,34,38)/t20-/m0/s1.
What are the key properties of 5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide?
5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide has a molecular weight of 557.65 g/mol, XLogP of 4.84, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[4-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide is sourced from PubChem (CID 90343688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).