N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide

C21H17Cl2N5O — CID 166596732

IUPACN-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc(NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C21H17Cl2N5O/c22-14-5-6-16(23)18(9-14)28-21(29)19-10-20(27-12-26-19)24-8-7-13-11-25-17-4-2-1-3-15(13)17/h1-6,9-12,25H,7-8H2,(H,28,29)(H,24,26,27)
InChIKeyZNSDNHSPGWDHTB-UHFFFAOYSA-N
MW426.31 g/mol
LogP5.17
Rot. Bonds6

About N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide

N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 166596732) has the molecular formula C21H17Cl2N5O and a molecular weight of 426.31 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
PubChem CID166596732
Molecular FormulaC21H17Cl2N5O
Molecular Weight426.31 g/mol
Exact Mass425.08
IUPAC NameN-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc(NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C21H17Cl2N5O/c22-14-5-6-16(23)18(9-14)28-21(29)19-10-20(27-12-26-19)24-8-7-13-11-25-17-4-2-1-3-15(13)17/h1-6,9-12,25H,7-8H2,(H,28,29)(H,24,26,27)
InChIKeyZNSDNHSPGWDHTB-UHFFFAOYSA-N
XLogP5.17
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.31
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109352217
N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109352226
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
N-cyclohexyl-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342013
4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862383
2-(2,5-dichloroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002516
4-N-[(2-chlorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859869
N-(2,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349686
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346800
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350146
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349573
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]prop-2-enamide
CID 108825650

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide (CID 166596732) is N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1cc(NCCc2c[nH]c3ccccc23)ncn1.
What is the InChIKey of N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is ZNSDNHSPGWDHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5O/c22-14-5-6-16(23)18(9-14)28-21(29)19-10-20(27-12-26-19)24-8-7-13-11-25-17-4-2-1-3-15(13)17/h1-6,9-12,25H,7-8H2,(H,28,29)(H,24,26,27).
What are the key properties of N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 426.31 g/mol, XLogP of 5.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 166596732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).