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

C24H25N7O3 — CID 58548154

IUPAC6-cyclopropyl-N-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCCC1CO)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H25N7O3/c32-13-17-2-1-9-31(17)24(34)18-7-8-25-12-21(18)30-23(33)22-20(28-16-10-26-14-27-11-16)6-5-19(29-22)15-3-4-15/h5-8,10-12,14-15,17,28,32H,1-4,9,13H2,(H,30,33)
InChIKeyVEMZGUGOZQUIQO-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.74
Rot. Bonds7

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

6-cyclopropyl-N-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548154) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548154
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC Name6-cyclopropyl-N-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCCC1CO)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H25N7O3/c32-13-17-2-1-9-31(17)24(34)18-7-8-25-12-21(18)30-23(33)22-20(28-16-10-26-14-27-11-16)6-5-19(29-22)15-3-4-15/h5-8,10-12,14-15,17,28,32H,1-4,9,13H2,(H,30,33)
InChIKeyVEMZGUGOZQUIQO-UHFFFAOYSA-N
XLogP2.74
TPSA133.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548154) is 6-cyclopropyl-N-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cnccc1C(=O)N1CCCC1CO)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is VEMZGUGOZQUIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c32-13-17-2-1-9-31(17)24(34)18-7-8-25-12-21(18)30-23(33)22-20(28-16-10-26-14-27-11-16)6-5-19(29-22)15-3-4-15/h5-8,10-12,14-15,17,28,32H,1-4,9,13H2,(H,30,33).
What are the key properties of 6-cyclopropyl-N-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).