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

C24H29N5O2 — CID 155195449

IUPACN-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC1CC1CNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H29N5O2/c1-15-14-31-22(17-6-7-23(25)26-10-17)13-29(15)12-19-8-18(19)11-27-24(30)21-9-16-4-2-3-5-20(16)28-21/h2-7,9-10,15,18-19,22,28H,8,11-14H2,1H3,(H2,25,26)(H,27,30)/t15-,18?,19?,22+/m0/s1
InChIKeyQKMCUEOKZNEZFG-VNGDJDOVSA-N
MW419.53 g/mol
LogP2.97
Rot. Bonds6

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

N-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide (PubChem CID 155195449) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide
PubChem CID155195449
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC1CC1CNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H29N5O2/c1-15-14-31-22(17-6-7-23(25)26-10-17)13-29(15)12-19-8-18(19)11-27-24(30)21-9-16-4-2-3-5-20(16)28-21/h2-7,9-10,15,18-19,22,28H,8,11-14H2,1H3,(H2,25,26)(H,27,30)/t15-,18?,19?,22+/m0/s1
InChIKeyQKMCUEOKZNEZFG-VNGDJDOVSA-N
XLogP2.97
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide (CID 155195449) is N-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide is C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CC1CC1CNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is QKMCUEOKZNEZFG-VNGDJDOVSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-15-14-31-22(17-6-7-23(25)26-10-17)13-29(15)12-19-8-18(19)11-27-24(30)21-9-16-4-2-3-5-20(16)28-21/h2-7,9-10,15,18-19,22,28H,8,11-14H2,1H3,(H2,25,26)(H,27,30)/t15-,18?,19?,22+/m0/s1.
What are the key properties of N-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide?
N-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155195449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).