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

C22H23N7O4 — CID 70098408

IUPAC6-cyclopropyl-N-[4-(2,3-dihydroxypropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NCC(O)CO)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H23N7O4/c30-11-15(31)9-26-21(32)16-5-6-23-10-19(16)29-22(33)20-18(27-14-7-24-12-25-8-14)4-3-17(28-20)13-1-2-13/h3-8,10,12-13,15,27,30-31H,1-2,9,11H2,(H,26,32)(H,29,33)
InChIKeyLBBXGIXXCQKNKX-UHFFFAOYSA-N
MW449.47 g/mol
LogP1.22
Rot. Bonds9

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

6-cyclopropyl-N-[4-(2,3-dihydroxypropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 70098408) has the molecular formula C22H23N7O4 and a molecular weight of 449.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(2,3-dihydroxypropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-(2,3-dihydroxypropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID70098408
Molecular FormulaC22H23N7O4
Molecular Weight449.47 g/mol
Exact Mass449.18
IUPAC Name6-cyclopropyl-N-[4-(2,3-dihydroxypropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NCC(O)CO)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H23N7O4/c30-11-15(31)9-26-21(32)16-5-6-23-10-19(16)29-22(33)20-18(27-14-7-24-12-25-8-14)4-3-17(28-20)13-1-2-13/h3-8,10,12-13,15,27,30-31H,1-2,9,11H2,(H,26,32)(H,29,33)
InChIKeyLBBXGIXXCQKNKX-UHFFFAOYSA-N
XLogP1.22
TPSA162.25 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 51.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-(2,3-dihydroxypropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-(2,3-dihydroxypropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 70098408) is 6-cyclopropyl-N-[4-(2,3-dihydroxypropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-(2,3-dihydroxypropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-(2,3-dihydroxypropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(NCC(O)CO)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-(2,3-dihydroxypropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is LBBXGIXXCQKNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O4/c30-11-15(31)9-26-21(32)16-5-6-23-10-19(16)29-22(33)20-18(27-14-7-24-12-25-8-14)4-3-17(28-20)13-1-2-13/h3-8,10,12-13,15,27,30-31H,1-2,9,11H2,(H,26,32)(H,29,33).
What are the key properties of 6-cyclopropyl-N-[4-(2,3-dihydroxypropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[4-(2,3-dihydroxypropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 449.47 g/mol, XLogP of 1.22, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-(2,3-dihydroxypropylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 70098408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).