4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide

C24H32ClN5O4 — CID 25016070

IUPAC4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCC(=O)Nc2cc(C)cc(C)n2)C[C@@H]1OC
InChIInChI=1S/C24H32ClN5O4/c1-14-9-15(2)27-22(10-14)29-23(31)6-8-30-7-5-19(21(13-30)34-4)28-24(32)16-11-17(25)18(26)12-20(16)33-3/h9-12,19,21H,5-8,13,26H2,1-4H3,(H,28,32)(H,27,29,31)/t19-,21+/m1/s1
InChIKeyDGVPPNDDLXKPMS-CTNGQTDRSA-N
MW490.00 g/mol
LogP2.79
Rot. Bonds8

About 4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide

4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide (PubChem CID 25016070) has the molecular formula C24H32ClN5O4 and a molecular weight of 490.00 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
PubChem CID25016070
Molecular FormulaC24H32ClN5O4
Molecular Weight490.00 g/mol
Exact Mass489.21
IUPAC Name4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCC(=O)Nc2cc(C)cc(C)n2)C[C@@H]1OC
InChIInChI=1S/C24H32ClN5O4/c1-14-9-15(2)27-22(10-14)29-23(31)6-8-30-7-5-19(21(13-30)34-4)28-24(32)16-11-17(25)18(26)12-20(16)33-3/h9-12,19,21H,5-8,13,26H2,1-4H3,(H,28,32)(H,27,29,31)/t19-,21+/m1/s1
InChIKeyDGVPPNDDLXKPMS-CTNGQTDRSA-N
XLogP2.79
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.00
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide with MolForge

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Launch Full Analysis

Related Compounds

4-amino-5-chloro-N-[(3R,4S)-1-(3-hydroxypropyl)-3-methoxypiperidin-4-yl]-2-methoxybenzamide
CID 142644081
4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]benzamide
CID 19994844
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethylcarbamic acid;hydrate
CID 70048632
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetic acid
CID 18545998
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl pyrrolidine-1-carboxylate
CID 19994885
ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate
CID 19994858
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide
CID 67922911
methyl 6-[(3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]-4-methylhexanoate
CID 157040616
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]piperidin-4-yl]benzamide
CID 14855051
ethyl 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetate;hydrochloride
CID 18981915
4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate
CID 172761446
8-[4-[6-[(3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]hexanoylamino]piperidin-1-yl]octanoic acid
CID 157040521

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide (CID 25016070) is 4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCC(=O)Nc2cc(C)cc(C)n2)C[C@@H]1OC.
What is the InChIKey of 4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide?
The InChIKey is DGVPPNDDLXKPMS-CTNGQTDRSA-N. The full InChI is InChI=1S/C24H32ClN5O4/c1-14-9-15(2)27-22(10-14)29-23(31)6-8-30-7-5-19(21(13-30)34-4)28-24(32)16-11-17(25)18(26)12-20(16)33-3/h9-12,19,21H,5-8,13,26H2,1-4H3,(H,28,32)(H,27,29,31)/t19-,21+/m1/s1.
What are the key properties of 4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide?
4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide has a molecular weight of 490.00 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[(3S,4R)-1-[3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 25016070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).