3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide

C24H29N5O3 — CID 146295658

IUPAC3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
SMILESCC(CO)NC(=O)c1cccc(Nc2ccc(C(=O)NC3=NCCCN3)cc2C2CC2)c1
InChIInChI=1S/C24H29N5O3/c1-15(14-30)27-22(31)17-4-2-5-19(12-17)28-21-9-8-18(13-20(21)16-6-7-16)23(32)29-24-25-10-3-11-26-24/h2,4-5,8-9,12-13,15-16,28,30H,3,6-7,10-11,14H2,1H3,(H,27,31)(H2,25,26,29,32)
InChIKeyOJDGKGZAKZEWFM-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.50
Rot. Bonds7

About 3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide

3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide (PubChem CID 146295658) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
PubChem CID146295658
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
SMILESCC(CO)NC(=O)c1cccc(Nc2ccc(C(=O)NC3=NCCCN3)cc2C2CC2)c1
InChIInChI=1S/C24H29N5O3/c1-15(14-30)27-22(31)17-4-2-5-19(12-17)28-21-9-8-18(13-20(21)16-6-7-16)23(32)29-24-25-10-3-11-26-24/h2,4-5,8-9,12-13,15-16,28,30H,3,6-7,10-11,14H2,1H3,(H,27,31)(H2,25,26,29,32)
InChIKeyOJDGKGZAKZEWFM-UHFFFAOYSA-N
XLogP2.50
TPSA114.85 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-4-[3-[(1-methylcyclopropyl)carbamoyl]anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295630
3-cyclopropyl-4-[3-(6-methylheptanoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 167622489
3-cyclopropyl-4-[4-methyl-3-(4-methylpentanoylamino)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146300556
3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide
CID 155586831
4-[3-[2-(3-cyclohexylpropyl)tetrazol-5-yl]anilino]-3-cyclopropyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295671
3-methyl-4-[3-(5-methylhexanoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 167645173
4-[3-(3-methylpyrrolidine-1-carbonyl)anilino]-3-propan-2-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 153391581
4-[3-(3-cyclohexylpropanoylamino)anilino]-3-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295606
3-cyclopropyl-4-[3-(2-cyclopropylacetyl)anilino]-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
CID 167684512
N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide
CID 173309503
4-[3-(4-ethylheptylsulfonyl)anilino]-3-propan-2-yl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 153391541
4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 162348631

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide?
The IUPAC name of 3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide (CID 146295658) is 3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide.
What is the SMILES notation for 3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide?
The canonical SMILES for 3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide is CC(CO)NC(=O)c1cccc(Nc2ccc(C(=O)NC3=NCCCN3)cc2C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide?
The InChIKey is OJDGKGZAKZEWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-15(14-30)27-22(31)17-4-2-5-19(12-17)28-21-9-8-18(13-20(21)16-6-7-16)23(32)29-24-25-10-3-11-26-24/h2,4-5,8-9,12-13,15-16,28,30H,3,6-7,10-11,14H2,1H3,(H,27,31)(H2,25,26,29,32).
What are the key properties of 3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide?
3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide has a molecular weight of 435.53 g/mol, XLogP of 2.50, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide is sourced from PubChem (CID 146295658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).