N-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C18H15ClN6O — CID 165415342

IUPACN-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1Cl)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C18H15ClN6O/c19-13-5-6-20-9-16(13)25-18(26)17-15(23-12-7-21-10-22-8-12)4-3-14(24-17)11-1-2-11/h3-11,23H,1-2H2,(H,25,26)
InChIKeyNCLMXWMJWDFNHX-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.79
Rot. Bonds5

About N-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

N-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165415342) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165415342
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC NameN-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1Cl)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C18H15ClN6O/c19-13-5-6-20-9-16(13)25-18(26)17-15(23-12-7-21-10-22-8-12)4-3-14(24-17)11-1-2-11/h3-11,23H,1-2H2,(H,25,26)
InChIKeyNCLMXWMJWDFNHX-UHFFFAOYSA-N
XLogP3.79
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165415342) is N-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cnccc1Cl)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is NCLMXWMJWDFNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c19-13-5-6-20-9-16(13)25-18(26)17-15(23-12-7-21-10-22-8-12)4-3-14(24-17)11-1-2-11/h3-11,23H,1-2H2,(H,25,26).
What are the key properties of N-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165415342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).