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

C23H25ClN6O — CID 155526685

IUPAC2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide;hydrochloride
SMILESCc1cc(C)nc(Nc2ncc(C(=O)NCCc3c(C)[nH]c4ccccc34)cn2)c1.Cl
InChIInChI=1S/C23H24N6O.ClH/c1-14-10-15(2)27-21(11-14)29-23-25-12-17(13-26-23)22(30)24-9-8-18-16(3)28-20-7-5-4-6-19(18)20;/h4-7,10-13,28H,8-9H2,1-3H3,(H,24,30)(H,25,26,27,29);1H
InChIKeyKNHQNXHZXZHWSS-UHFFFAOYSA-N
MW436.95 g/mol
LogP4.42
Rot. Bonds6

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

2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 155526685) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide;hydrochloride
PubChem CID155526685
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide;hydrochloride
SMILESCc1cc(C)nc(Nc2ncc(C(=O)NCCc3c(C)[nH]c4ccccc34)cn2)c1.Cl
InChIInChI=1S/C23H24N6O.ClH/c1-14-10-15(2)27-21(11-14)29-23-25-12-17(13-26-23)22(30)24-9-8-18-16(3)28-20-7-5-4-6-19(18)20;/h4-7,10-13,28H,8-9H2,1-3H3,(H,24,30)(H,25,26,27,29);1H
InChIKeyKNHQNXHZXZHWSS-UHFFFAOYSA-N
XLogP4.42
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide;hydrochloride (CID 155526685) is 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide;hydrochloride is Cc1cc(C)nc(Nc2ncc(C(=O)NCCc3c(C)[nH]c4ccccc34)cn2)c1.Cl.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is KNHQNXHZXZHWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O.ClH/c1-14-10-15(2)27-21(11-14)29-23-25-12-17(13-26-23)22(30)24-9-8-18-16(3)28-20-7-5-4-6-19(18)20;/h4-7,10-13,28H,8-9H2,1-3H3,(H,24,30)(H,25,26,27,29);1H.
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide;hydrochloride?
2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 436.95 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 155526685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).