N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide

C20H20N4O2 — CID 71995258

IUPACN-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
SMILESO=C(NCC(=O)N(Cc1cccnc1)C1CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H20N4O2/c25-19(24(16-7-8-16)13-14-4-3-9-21-11-14)12-22-20(26)18-10-15-5-1-2-6-17(15)23-18/h1-6,9-11,16,23H,7-8,12-13H2,(H,22,26)
InChIKeyCRSPBMNXXCMWOX-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.48
Rot. Bonds6

About N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide

N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide (PubChem CID 71995258) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
PubChem CID71995258
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
SMILESO=C(NCC(=O)N(Cc1cccnc1)C1CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H20N4O2/c25-19(24(16-7-8-16)13-14-4-3-9-21-11-14)12-22-20(26)18-10-15-5-1-2-6-17(15)23-18/h1-6,9-11,16,23H,7-8,12-13H2,(H,22,26)
InChIKeyCRSPBMNXXCMWOX-UHFFFAOYSA-N
XLogP2.48
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid
CID 119195154
N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938
N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide
CID 155076755
N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 79285110
N-cyclopropyl-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46124380
ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate
CID 42791890
N-[2-[(2-hydroxycyclohexyl)methyl-methylamino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 110003663
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
CID 162364764
2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 50816866

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide (CID 71995258) is N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide is O=C(NCC(=O)N(Cc1cccnc1)C1CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide?
The InChIKey is CRSPBMNXXCMWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(24(16-7-8-16)13-14-4-3-9-21-11-14)12-22-20(26)18-10-15-5-1-2-6-17(15)23-18/h1-6,9-11,16,23H,7-8,12-13H2,(H,22,26).
What are the key properties of N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide?
N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71995258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).