6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C26H24N6O2S — CID 165415097

IUPAC6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)s1)c1ccccc1
InChIInChI=1S/C26H24N6O2S/c1-16(17-5-3-2-4-6-17)29-25(33)22-11-12-23(35-22)32-26(34)24-21(30-19-13-27-15-28-14-19)10-9-20(31-24)18-7-8-18/h2-6,9-16,18,30H,7-8H2,1H3,(H,29,33)(H,32,34)/t16-/m1/s1
InChIKeyCFZKDZIZPVJFOM-MRXNPFEDSA-N
MW484.59 g/mol
LogP5.30
Rot. Bonds8

About 6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165415097) has the molecular formula C26H24N6O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165415097
Molecular FormulaC26H24N6O2S
Molecular Weight484.59 g/mol
Exact Mass484.17
IUPAC Name6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)s1)c1ccccc1
InChIInChI=1S/C26H24N6O2S/c1-16(17-5-3-2-4-6-17)29-25(33)22-11-12-23(35-22)32-26(34)24-21(30-19-13-27-15-28-14-19)10-9-20(31-24)18-7-8-18/h2-6,9-16,18,30H,7-8H2,1H3,(H,29,33)(H,32,34)/t16-/m1/s1
InChIKeyCFZKDZIZPVJFOM-MRXNPFEDSA-N
XLogP5.30
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.59
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165415097) is 6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is C[C@@H](NC(=O)c1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)s1)c1ccccc1.
What is the InChIKey of 6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is CFZKDZIZPVJFOM-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H24N6O2S/c1-16(17-5-3-2-4-6-17)29-25(33)22-11-12-23(35-22)32-26(34)24-21(30-19-13-27-15-28-14-19)10-9-20(31-24)18-7-8-18/h2-6,9-16,18,30H,7-8H2,1H3,(H,29,33)(H,32,34)/t16-/m1/s1.
What are the key properties of 6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 484.59 g/mol, XLogP of 5.30, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5-[[(1R)-1-phenylethyl]carbamoyl]thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165415097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).