N,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine

C18H23N7 — CID 171328764

IUPACN,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1cnc(N(C)C2CCN(c3nc4cccnc4n3C)CC2)nc1
InChIInChI=1S/C18H23N7/c1-13-11-20-17(21-12-13)23(2)14-6-9-25(10-7-14)18-22-15-5-4-8-19-16(15)24(18)3/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeySSIGJPTYUVWHTJ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.17
Rot. Bonds3

About N,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine

N,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 171328764) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is N,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID171328764
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC NameN,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1cnc(N(C)C2CCN(c3nc4cccnc4n3C)CC2)nc1
InChIInChI=1S/C18H23N7/c1-13-11-20-17(21-12-13)23(2)14-6-9-25(10-7-14)18-22-15-5-4-8-19-16(15)24(18)3/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeySSIGJPTYUVWHTJ-UHFFFAOYSA-N
XLogP2.17
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of N,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine (CID 171328764) is N,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine is Cc1cnc(N(C)C2CCN(c3nc4cccnc4n3C)CC2)nc1.
What is the InChIKey of N,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is SSIGJPTYUVWHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-13-11-20-17(21-12-13)23(2)14-6-9-25(10-7-14)18-22-15-5-4-8-19-16(15)24(18)3/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3.
What are the key properties of N,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine?
N,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 337.43 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 171328764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).