N-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide

C26H36ClN5O3 — CID 123566794

IUPACN-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide
SMILESCCCN(CCNC)C(=O)CC1CCN(c2ncc(Cl)cc2NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C26H36ClN5O3/c1-4-12-31(15-11-28-2)24(33)16-19-9-13-32(14-10-19)25-23(17-21(27)18-29-25)30-26(34)20-5-7-22(35-3)8-6-20/h5-8,17-19,28H,4,9-16H2,1-3H3,(H,30,34)
InChIKeyCCURZUOXXOJAAV-UHFFFAOYSA-N
MW502.06 g/mol
LogP4.06
Rot. Bonds11

About N-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide

N-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide (PubChem CID 123566794) has the molecular formula C26H36ClN5O3 and a molecular weight of 502.06 g/mol. Its IUPAC name is N-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide
PubChem CID123566794
Molecular FormulaC26H36ClN5O3
Molecular Weight502.06 g/mol
Exact Mass501.25
IUPAC NameN-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide
SMILESCCCN(CCNC)C(=O)CC1CCN(c2ncc(Cl)cc2NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C26H36ClN5O3/c1-4-12-31(15-11-28-2)24(33)16-19-9-13-32(14-10-19)25-23(17-21(27)18-29-25)30-26(34)20-5-7-22(35-3)8-6-20/h5-8,17-19,28H,4,9-16H2,1-3H3,(H,30,34)
InChIKeyCCURZUOXXOJAAV-UHFFFAOYSA-N
XLogP4.06
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.06
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide with MolForge

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Related Compounds

3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 67341438
4-methoxy-N-[2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 67345373
3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 159708927
3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307301
4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307637
1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid
CID 67344796
3-chloro-N-[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 87355894
N-(2-amino-5-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 29155614
4-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid
CID 83283334
3-chloro-N-[5-chloro-2-[4-[2-(4-formyl-1,4-diazepan-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 87363267
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723
N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-3-pyridinyl]-4-methylsulfonylbenzamide
CID 59548757

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide (CID 123566794) is N-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide is CCCN(CCNC)C(=O)CC1CCN(c2ncc(Cl)cc2NC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide?
The InChIKey is CCURZUOXXOJAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClN5O3/c1-4-12-31(15-11-28-2)24(33)16-19-9-13-32(14-10-19)25-23(17-21(27)18-29-25)30-26(34)20-5-7-22(35-3)8-6-20/h5-8,17-19,28H,4,9-16H2,1-3H3,(H,30,34).
What are the key properties of N-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide?
N-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide has a molecular weight of 502.06 g/mol, XLogP of 4.06, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[4-[2-[2-(methylamino)ethyl-propylamino]-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 123566794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).