N-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide

C24H24N4O — CID 153320706

IUPACN-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide
SMILESO=C(Nc1cccc(-c2ncccn2)c1C1CC1NCC1CC1)c1ccccc1
InChIInChI=1S/C24H24N4O/c29-24(17-6-2-1-3-7-17)28-20-9-4-8-18(23-25-12-5-13-26-23)22(20)19-14-21(19)27-15-16-10-11-16/h1-9,12-13,16,19,21,27H,10-11,14-15H2,(H,28,29)
InChIKeyAIERQLCCWPDUBP-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.25
Rot. Bonds7

About N-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide

N-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide (PubChem CID 153320706) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide
PubChem CID153320706
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide
SMILESO=C(Nc1cccc(-c2ncccn2)c1C1CC1NCC1CC1)c1ccccc1
InChIInChI=1S/C24H24N4O/c29-24(17-6-2-1-3-7-17)28-20-9-4-8-18(23-25-12-5-13-26-23)22(20)19-14-21(19)27-15-16-10-11-16/h1-9,12-13,16,19,21,27H,10-11,14-15H2,(H,28,29)
InChIKeyAIERQLCCWPDUBP-UHFFFAOYSA-N
XLogP4.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide?
The IUPAC name of N-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide (CID 153320706) is N-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide.
What is the SMILES notation for N-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide?
The canonical SMILES for N-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide is O=C(Nc1cccc(-c2ncccn2)c1C1CC1NCC1CC1)c1ccccc1.
What is the InChIKey of N-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide?
The InChIKey is AIERQLCCWPDUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c29-24(17-6-2-1-3-7-17)28-20-9-4-8-18(23-25-12-5-13-26-23)22(20)19-14-21(19)27-15-16-10-11-16/h1-9,12-13,16,19,21,27H,10-11,14-15H2,(H,28,29).
What are the key properties of N-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide?
N-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclopropylmethylamino)cyclopropyl]-3-pyrimidin-2-ylphenyl]benzamide is sourced from PubChem (CID 153320706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).