N-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C23H23N7O2 — CID 54760569

IUPACN-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NC1CCC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H23N7O2/c31-22(28-15-2-1-3-15)17-8-9-24-12-20(17)30-23(32)21-19(27-16-10-25-13-26-11-16)7-6-18(29-21)14-4-5-14/h6-15,27H,1-5H2,(H,28,31)(H,30,32)
InChIKeyLJJVPXSWXZDWOJ-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.42
Rot. Bonds7

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

N-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 54760569) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID54760569
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC NameN-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NC1CCC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H23N7O2/c31-22(28-15-2-1-3-15)17-8-9-24-12-20(17)30-23(32)21-19(27-16-10-25-13-26-11-16)7-6-18(29-21)14-4-5-14/h6-15,27H,1-5H2,(H,28,31)(H,30,32)
InChIKeyLJJVPXSWXZDWOJ-UHFFFAOYSA-N
XLogP3.42
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 54760569) is N-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(NC1CCC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of N-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is LJJVPXSWXZDWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c31-22(28-15-2-1-3-15)17-8-9-24-12-20(17)30-23(32)21-19(27-16-10-25-13-26-11-16)7-6-18(29-21)14-4-5-14/h6-15,27H,1-5H2,(H,28,31)(H,30,32).
What are the key properties of N-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclobutylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 54760569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).