3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide

C18H21N7O — CID 118733356

IUPAC3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide
SMILESCc1cc(C)nc(Nc2cc(NC(C)c3ncc[nH]3)cnc2C(N)=O)c1
InChIInChI=1S/C18H21N7O/c1-10-6-11(2)23-15(7-10)25-14-8-13(9-22-16(14)17(19)26)24-12(3)18-20-4-5-21-18/h4-9,12,24H,1-3H3,(H2,19,26)(H,20,21)(H,23,25)
InChIKeyIQNQCFVVBVLBQR-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.83
Rot. Bonds6

About 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide

3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide (PubChem CID 118733356) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide
PubChem CID118733356
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide
SMILESCc1cc(C)nc(Nc2cc(NC(C)c3ncc[nH]3)cnc2C(N)=O)c1
InChIInChI=1S/C18H21N7O/c1-10-6-11(2)23-15(7-10)25-14-8-13(9-22-16(14)17(19)26)24-12(3)18-20-4-5-21-18/h4-9,12,24H,1-3H3,(H2,19,26)(H,20,21)(H,23,25)
InChIKeyIQNQCFVVBVLBQR-UHFFFAOYSA-N
XLogP2.83
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide (CID 118733356) is 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide is Cc1cc(C)nc(Nc2cc(NC(C)c3ncc[nH]3)cnc2C(N)=O)c1.
What is the InChIKey of 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide?
The InChIKey is IQNQCFVVBVLBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-10-6-11(2)23-15(7-10)25-14-8-13(9-22-16(14)17(19)26)24-12(3)18-20-4-5-21-18/h4-9,12,24H,1-3H3,(H2,19,26)(H,20,21)(H,23,25).
What are the key properties of 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide?
3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethyl-2-pyridinyl)amino]-5-[1-(1H-imidazol-2-yl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 118733356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).