N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide

C21H20ClN5O2 — CID 58215629

IUPACN-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
SMILESCn1c(-c2cncc(CNC(=O)N3CCOCC3)c2)c(C#N)c2ccc(Cl)cc21
InChIInChI=1S/C21H20ClN5O2/c1-26-19-9-16(22)2-3-17(19)18(10-23)20(26)15-8-14(11-24-13-15)12-25-21(28)27-4-6-29-7-5-27/h2-3,8-9,11,13H,4-7,12H2,1H3,(H,25,28)
InChIKeyDPAGDPGPEVXSQX-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.31
Rot. Bonds3

About N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide

N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide (PubChem CID 58215629) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
PubChem CID58215629
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC NameN-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
SMILESCn1c(-c2cncc(CNC(=O)N3CCOCC3)c2)c(C#N)c2ccc(Cl)cc21
InChIInChI=1S/C21H20ClN5O2/c1-26-19-9-16(22)2-3-17(19)18(10-23)20(26)15-8-14(11-24-13-15)12-25-21(28)27-4-6-29-7-5-27/h2-3,8-9,11,13H,4-7,12H2,1H3,(H,25,28)
InChIKeyDPAGDPGPEVXSQX-UHFFFAOYSA-N
XLogP3.31
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile
CID 59534644
6-chloro-1-methyl-2-[5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-3-pyridinyl]indole-3-carbonitrile
CID 58215564
N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
CID 59534638
2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile
CID 174820898
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
N-(1H-pyrrol-3-ylmethyl)morpholine-4-carboxamide
CID 110873953
4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile
CID 60723145
N-(1H-pyrazol-4-ylmethyl)morpholine-4-carboxamide
CID 79151879
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256
N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine
CID 141375005
3-(3,4-dichlorophenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273952

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide (CID 58215629) is N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide is Cn1c(-c2cncc(CNC(=O)N3CCOCC3)c2)c(C#N)c2ccc(Cl)cc21.
What is the InChIKey of N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide?
The InChIKey is DPAGDPGPEVXSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-26-19-9-16(22)2-3-17(19)18(10-23)20(26)15-8-14(11-24-13-15)12-25-21(28)27-4-6-29-7-5-27/h2-3,8-9,11,13H,4-7,12H2,1H3,(H,25,28).
What are the key properties of N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide?
N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide has a molecular weight of 409.88 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 58215629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).