6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C24H23N7O3 — CID 58548408

IUPAC6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CC2(COC2)C1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H23N7O3/c32-22(21-19(28-16-7-26-14-27-8-16)4-3-18(29-21)15-1-2-15)30-20-9-25-6-5-17(20)23(33)31-10-24(11-31)12-34-13-24/h3-9,14-15,28H,1-2,10-13H2,(H,30,32)
InChIKeyGWEZYPJWMRSURV-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.61
Rot. Bonds6

About 6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548408) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548408
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CC2(COC2)C1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H23N7O3/c32-22(21-19(28-16-7-26-14-27-8-16)4-3-18(29-21)15-1-2-15)30-20-9-25-6-5-17(20)23(33)31-10-24(11-31)12-34-13-24/h3-9,14-15,28H,1-2,10-13H2,(H,30,32)
InChIKeyGWEZYPJWMRSURV-UHFFFAOYSA-N
XLogP2.61
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548408) is 6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cnccc1C(=O)N1CC2(COC2)C1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is GWEZYPJWMRSURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c32-22(21-19(28-16-7-26-14-27-8-16)4-3-18(29-21)15-1-2-15)30-20-9-25-6-5-17(20)23(33)31-10-24(11-31)12-34-13-24/h3-9,14-15,28H,1-2,10-13H2,(H,30,32).
What are the key properties of 6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).