6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide

C23H23N7O2 — CID 54760571

IUPAC6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCCC1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H23N7O2/c31-22(29-20-13-24-8-7-17(20)23(32)30-9-1-2-10-30)21-19(27-16-11-25-14-26-12-16)6-5-18(28-21)15-3-4-15/h5-8,11-15,27H,1-4,9-10H2,(H,29,31)
InChIKeyUZYSPHDFZZFZPA-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.38
Rot. Bonds6

About 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 54760571) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID54760571
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCCC1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H23N7O2/c31-22(29-20-13-24-8-7-17(20)23(32)30-9-1-2-10-30)21-19(27-16-11-25-14-26-12-16)6-5-18(28-21)15-3-4-15/h5-8,11-15,27H,1-4,9-10H2,(H,29,31)
InChIKeyUZYSPHDFZZFZPA-UHFFFAOYSA-N
XLogP3.38
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide (CID 54760571) is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1cnccc1C(=O)N1CCCC1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is UZYSPHDFZZFZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c31-22(29-20-13-24-8-7-17(20)23(32)30-9-1-2-10-30)21-19(27-16-11-25-14-26-12-16)6-5-18(28-21)15-3-4-15/h5-8,11-15,27H,1-4,9-10H2,(H,29,31).
What are the key properties of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 54760571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).