N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide

C22H21N5O — CID 109303774

IUPACN-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C22H21N5O/c28-21(26-14-16-6-2-1-3-7-16)20-11-13-24-22(27-20)23-12-10-17-15-25-19-9-5-4-8-18(17)19/h1-9,11,13,15,25H,10,12,14H2,(H,26,28)(H,23,24,27)
InChIKeyKZXCKJCKUPTGDW-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.54
Rot. Bonds7

About N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide

N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109303774) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109303774
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C22H21N5O/c28-21(26-14-16-6-2-1-3-7-16)20-11-13-24-22(27-20)23-12-10-17-15-25-19-9-5-4-8-18(17)19/h1-9,11,13,15,25H,10,12,14H2,(H,26,28)(H,23,24,27)
InChIKeyKZXCKJCKUPTGDW-UHFFFAOYSA-N
XLogP3.54
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109301265
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109295766
2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304866
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109309599
N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109187851
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109309620
2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309683
N-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109189607
5-(benzylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109188002
(4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone
CID 109302555
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883844
2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309635

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide (CID 109303774) is N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide is O=C(NCc1ccccc1)c1ccnc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is KZXCKJCKUPTGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-21(26-14-16-6-2-1-3-7-16)20-11-13-24-22(27-20)23-12-10-17-15-25-19-9-5-4-8-18(17)19/h1-9,11,13,15,25H,10,12,14H2,(H,26,28)(H,23,24,27).
What are the key properties of N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109303774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).