N-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide

C23H27N5O — CID 122572148

IUPACN-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
SMILESCN(CCn1ccnc1)C(=O)c1cccc(-c2ccc(CN3CCCC3)cn2)c1
InChIInChI=1S/C23H27N5O/c1-26(13-14-28-12-9-24-18-28)23(29)21-6-4-5-20(15-21)22-8-7-19(16-25-22)17-27-10-2-3-11-27/h4-9,12,15-16,18H,2-3,10-11,13-14,17H2,1H3
InChIKeySOUYGEIBFPPVHQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.31
Rot. Bonds7

About N-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide

N-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide (PubChem CID 122572148) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
PubChem CID122572148
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
SMILESCN(CCn1ccnc1)C(=O)c1cccc(-c2ccc(CN3CCCC3)cn2)c1
InChIInChI=1S/C23H27N5O/c1-26(13-14-28-12-9-24-18-28)23(29)21-6-4-5-20(15-21)22-8-7-19(16-25-22)17-27-10-2-3-11-27/h4-9,12,15-16,18H,2-3,10-11,13-14,17H2,1H3
InChIKeySOUYGEIBFPPVHQ-UHFFFAOYSA-N
XLogP3.31
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide (CID 122572148) is N-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide is CN(CCn1ccnc1)C(=O)c1cccc(-c2ccc(CN3CCCC3)cn2)c1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide?
The InChIKey is SOUYGEIBFPPVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-26(13-14-28-12-9-24-18-28)23(29)21-6-4-5-20(15-21)22-8-7-19(16-25-22)17-27-10-2-3-11-27/h4-9,12,15-16,18H,2-3,10-11,13-14,17H2,1H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide?
N-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 122572148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).