N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide

C23H26N4O2S — CID 163227567

IUPACN-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnc(NC(C)(C)CO)c(-c2cnsc2)c1
InChIInChI=1S/C23H26N4O2S/c1-14-4-5-15(22(29)26-18-6-7-18)8-19(14)16-9-20(17-11-25-30-12-17)21(24-10-16)27-23(2,3)13-28/h4-5,8-12,18,28H,6-7,13H2,1-3H3,(H,24,27)(H,26,29)
InChIKeyLBNXFTQQAYDIEE-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.26
Rot. Bonds7

About N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide

N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide (PubChem CID 163227567) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide
PubChem CID163227567
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnc(NC(C)(C)CO)c(-c2cnsc2)c1
InChIInChI=1S/C23H26N4O2S/c1-14-4-5-15(22(29)26-18-6-7-18)8-19(14)16-9-20(17-11-25-30-12-17)21(24-10-16)27-23(2,3)13-28/h4-5,8-12,18,28H,6-7,13H2,1-3H3,(H,24,27)(H,26,29)
InChIKeyLBNXFTQQAYDIEE-UHFFFAOYSA-N
XLogP4.26
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide with MolForge

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Related Compounds

N-cyclopropyl-5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 163227722
N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(methylamino)-3-pyridinyl]-4-methylbenzamide
CID 163227607
5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide
CID 163227803
5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 163227753
N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443
4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
CID 91397175
N-cyclopropyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078792
3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
CID 142826121
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide
CID 58919712
N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273125
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide
CID 11314984

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide (CID 163227567) is N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnc(NC(C)(C)CO)c(-c2cnsc2)c1.
What is the InChIKey of N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide?
The InChIKey is LBNXFTQQAYDIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-14-4-5-15(22(29)26-18-6-7-18)8-19(14)16-9-20(17-11-25-30-12-17)21(24-10-16)27-23(2,3)13-28/h4-5,8-12,18,28H,6-7,13H2,1-3H3,(H,24,27)(H,26,29).
What are the key properties of N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide?
N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide has a molecular weight of 422.55 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 163227567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).