N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride

About N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride

N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 155515939) has the molecular formula C23H24Cl2N6O and a molecular weight of 471.39 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name	N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride
PubChem CID	155515939
Molecular Formula	C23H24Cl2N6O
Molecular Weight	471.39 g/mol
Exact Mass	470.14
IUPAC Name	N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride
SMILES	Cc1cc(C)nc(Nc2ncc(C(=O)NCCc3c(C)[nH]c4ccc(Cl)cc34)cn2)c1.Cl
InChI	InChI=1S/C23H23ClN6O.ClH/c1-13-8-14(2)28-21(9-13)30-23-26-11-16(12-27-23)22(31)25-7-6-18-15(3)29-20-5-4-17(24)10-19(18)20;/h4-5,8-12,29H,6-7H2,1-3H3,(H,25,31)(H,26,27,28,30);1H
InChIKey	SPXNNYKIWGQOOR-UHFFFAOYSA-N
XLogP	5.07
TPSA	95.59 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.39
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride?

The IUPAC name of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride (CID 155515939) is N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride.

What is the SMILES notation for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride?

The canonical SMILES for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride is Cc1cc(C)nc(Nc2ncc(C(=O)NCCc3c(C)[nH]c4ccc(Cl)cc34)cn2)c1.Cl.

What is the InChIKey of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride?

The InChIKey is SPXNNYKIWGQOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O.ClH/c1-13-8-14(2)28-21(9-13)30-23-26-11-16(12-27-23)22(31)25-7-6-18-15(3)29-20-5-4-17(24)10-19(18)20;/h4-5,8-12,29H,6-7H2,1-3H3,(H,25,31)(H,26,27,28,30);1H.

What are the key properties of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride?

N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 471.39 g/mol, XLogP of 5.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-[(4,6-dimethyl-2-pyridinyl)amino]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 155515939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).