6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C25H28N6O3S — CID 58548294

IUPAC6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCOCC2)c(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)s1
InChIInChI=1S/C25H28N6O3S/c1-15(2)21-11-18(25(33)31-7-9-34-10-8-31)24(35-21)30-23(32)22-20(28-17-12-26-14-27-13-17)6-5-19(29-22)16-3-4-16/h5-6,11-16,28H,3-4,7-10H2,1-2H3,(H,30,32)
InChIKeyKMZKWGKXUJXCKI-UHFFFAOYSA-N
MW492.61 g/mol
LogP4.40
Rot. Bonds7

About 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548294) has the molecular formula C25H28N6O3S and a molecular weight of 492.61 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548294
Molecular FormulaC25H28N6O3S
Molecular Weight492.61 g/mol
Exact Mass492.19
IUPAC Name6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCOCC2)c(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)s1
InChIInChI=1S/C25H28N6O3S/c1-15(2)21-11-18(25(33)31-7-9-34-10-8-31)24(35-21)30-23(32)22-20(28-17-12-26-14-27-13-17)6-5-19(29-22)16-3-4-16/h5-6,11-16,28H,3-4,7-10H2,1-2H3,(H,30,32)
InChIKeyKMZKWGKXUJXCKI-UHFFFAOYSA-N
XLogP4.40
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Aminoethyl)-5-(2-{[4-(Morpholin-4-Yl)pyridin-2-Yl]amino}-1,3-Thiazol-5-Yl)pyridine-3-Carboxamide
CID 15980109
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-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54760756
6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54760757
N-[2-(methylamino)ethyl]-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980347
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
6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548356
3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 127032072
5-[2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide
CID 16036800
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid [4-(3,3-dimethyl-pyrrolidine-1-carbonyl)-pyridin-3-yl]-amide
CID 54760760

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548294) is 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CC(C)c1cc(C(=O)N2CCOCC2)c(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)s1.
What is the InChIKey of 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is KMZKWGKXUJXCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3S/c1-15(2)21-11-18(25(33)31-7-9-34-10-8-31)24(35-21)30-23(32)22-20(28-17-12-26-14-27-13-17)6-5-19(29-22)16-3-4-16/h5-6,11-16,28H,3-4,7-10H2,1-2H3,(H,30,32).
What are the key properties of 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 492.61 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)-5-propan-2-ylthiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).