4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide

C19H24N4O — CID 56723382

IUPAC4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCNc1ccc(C(=O)NCC2CCN(Cc3ccncc3)C2)cc1
InChIInChI=1S/C19H24N4O/c1-20-18-4-2-17(3-5-18)19(24)22-12-16-8-11-23(14-16)13-15-6-9-21-10-7-15/h2-7,9-10,16,20H,8,11-14H2,1H3,(H,22,24)
InChIKeyMFVJUZCLXYDETP-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.38
Rot. Bonds6

About 4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide

4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 56723382) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID56723382
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCNc1ccc(C(=O)NCC2CCN(Cc3ccncc3)C2)cc1
InChIInChI=1S/C19H24N4O/c1-20-18-4-2-17(3-5-18)19(24)22-12-16-8-11-23(14-16)13-15-6-9-21-10-7-15/h2-7,9-10,16,20H,8,11-14H2,1H3,(H,22,24)
InChIKeyMFVJUZCLXYDETP-UHFFFAOYSA-N
XLogP2.38
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
3,5-dimethoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 45226416
methyl 4-[[2-oxo-2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]acetyl]amino]benzoate
CID 16887131
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
4-chloro-3-nitro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895983
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271
N-[[(3S)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]methyl]-2-pyridin-4-ylacetamide
CID 95211378
5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895958

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide (CID 56723382) is 4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide is CNc1ccc(C(=O)NCC2CCN(Cc3ccncc3)C2)cc1.
What is the InChIKey of 4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is MFVJUZCLXYDETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-20-18-4-2-17(3-5-18)19(24)22-12-16-8-11-23(14-16)13-15-6-9-21-10-7-15/h2-7,9-10,16,20H,8,11-14H2,1H3,(H,22,24).
What are the key properties of 4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide?
4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 324.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 56723382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).