N-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine

C18H18ClN5 — CID 44528130

IUPACN-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine
SMILESClc1cccc(Nc2ccc3c(N4CCCCC4)ncnc3n2)c1
InChIInChI=1S/C18H18ClN5/c19-13-5-4-6-14(11-13)22-16-8-7-15-17(23-16)20-12-21-18(15)24-9-2-1-3-10-24/h4-8,11-12H,1-3,9-10H2,(H,20,21,22,23)
InChIKeyNDKIHXCMUIJHTB-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.41
Rot. Bonds3

About N-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine

N-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine (PubChem CID 44528130) has the molecular formula C18H18ClN5 and a molecular weight of 339.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine
PubChem CID44528130
Molecular FormulaC18H18ClN5
Molecular Weight339.83 g/mol
Exact Mass339.13
IUPAC NameN-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine
SMILESClc1cccc(Nc2ccc3c(N4CCCCC4)ncnc3n2)c1
InChIInChI=1S/C18H18ClN5/c19-13-5-4-6-14(11-13)22-16-8-7-15-17(23-16)20-12-21-18(15)24-9-2-1-3-10-24/h4-8,11-12H,1-3,9-10H2,(H,20,21,22,23)
InChIKeyNDKIHXCMUIJHTB-UHFFFAOYSA-N
XLogP4.41
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of N-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine (CID 44528130) is N-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine is Clc1cccc(Nc2ccc3c(N4CCCCC4)ncnc3n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is NDKIHXCMUIJHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5/c19-13-5-4-6-14(11-13)22-16-8-7-15-17(23-16)20-12-21-18(15)24-9-2-1-3-10-24/h4-8,11-12H,1-3,9-10H2,(H,20,21,22,23).
What are the key properties of N-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine?
N-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 339.83 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 44528130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).