6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C21H20N6O2S — CID 58548356

IUPAC6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccsc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H20N6O2S/c28-19(25-13-3-4-13)15-7-8-30-21(15)27-20(29)18-17(24-14-9-22-11-23-10-14)6-5-16(26-18)12-1-2-12/h5-13,24H,1-4H2,(H,25,28)(H,27,29)
InChIKeyWYEGBHLHEYZHLJ-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.70
Rot. Bonds7

About 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548356) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548356
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC Name6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccsc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H20N6O2S/c28-19(25-13-3-4-13)15-7-8-30-21(15)27-20(29)18-17(24-14-9-22-11-23-10-14)6-5-16(26-18)12-1-2-12/h5-13,24H,1-4H2,(H,25,28)(H,27,29)
InChIKeyWYEGBHLHEYZHLJ-UHFFFAOYSA-N
XLogP3.70
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-N-(2-pyridin-2-yl-1,3-thiazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330053
6-cyclopropyl-3-[(pyrimidin-5-yl)amino]-N-[4-(pyrrolidine-1-carbonyl)pyridin-3-yl]pyridine-2-carboxamide
CID 54760571
6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54760757
6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329709
6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 54761301
3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 127032072
3-Benzoylamino-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 11045566
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid cyclo-hexylamide
CID 25230100
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid cyclo-propylamide
CID 25231169
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid iso-propylamide
CID 25231170
6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329534
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (4-cyclopropylcarbamoyl-pyridin-3-yl)-amide
CID 54760568

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548356) is 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(NC1CC1)c1ccsc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is WYEGBHLHEYZHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c28-19(25-13-3-4-13)15-7-8-30-21(15)27-20(29)18-17(24-14-9-22-11-23-10-14)6-5-16(26-18)12-1-2-12/h5-13,24H,1-4H2,(H,25,28)(H,27,29).
What are the key properties of 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).