4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide

C20H25ClN4O2 — CID 54575224

IUPAC4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C20H25ClN4O2/c1-27-19-10-18(22)17(21)9-16(19)20(26)24-12-14-4-7-25(8-5-14)13-15-3-2-6-23-11-15/h2-3,6,9-11,14H,4-5,7-8,12-13,22H2,1H3,(H,24,26)
InChIKeyHIOGWWRSBGQSBU-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.97
Rot. Bonds6

About 4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide

4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 54575224) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID54575224
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C20H25ClN4O2/c1-27-19-10-18(22)17(21)9-16(19)20(26)24-12-14-4-7-25(8-5-14)13-15-3-2-6-23-11-15/h2-3,6,9-11,14H,4-5,7-8,12-13,22H2,1H3,(H,24,26)
InChIKeyHIOGWWRSBGQSBU-UHFFFAOYSA-N
XLogP2.97
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 54575224) is 4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide is COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is HIOGWWRSBGQSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-27-19-10-18(22)17(21)9-16(19)20(26)24-12-14-4-7-25(8-5-14)13-15-3-2-6-23-11-15/h2-3,6,9-11,14H,4-5,7-8,12-13,22H2,1H3,(H,24,26).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 388.90 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 54575224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).