N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride

C20H25Cl2N5O2 — CID 157245051

IUPACN-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride
SMILESCC(C)N1CC[C@@H](NC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)C1.Cl
InChIInChI=1S/C20H24ClN5O2.ClH/c1-13(2)26-10-9-15(12-26)23-20(28)24-17-6-4-3-5-16(17)19(27)25-18-8-7-14(21)11-22-18;/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,22,25,27)(H2,23,24,28);1H/t15-;/m1./s1
InChIKeyMQEJHANWXNNRHB-XFULWGLBSA-N
MW438.36 g/mol
LogP4.01
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride

N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride (PubChem CID 157245051) has the molecular formula C20H25Cl2N5O2 and a molecular weight of 438.36 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride
PubChem CID157245051
Molecular FormulaC20H25Cl2N5O2
Molecular Weight438.36 g/mol
Exact Mass437.14
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride
SMILESCC(C)N1CC[C@@H](NC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)C1.Cl
InChIInChI=1S/C20H24ClN5O2.ClH/c1-13(2)26-10-9-15(12-26)23-20(28)24-17-6-4-3-5-16(17)19(27)25-18-8-7-14(21)11-22-18;/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,22,25,27)(H2,23,24,28);1H/t15-;/m1./s1
InChIKeyMQEJHANWXNNRHB-XFULWGLBSA-N
XLogP4.01
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-propan-2-ylpyrrolidin-3-yl] N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamate
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N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
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CID 10182437
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CID 110019983
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
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N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-(5-chloro-2-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
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2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 131939573
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride (CID 157245051) is N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride is CC(C)N1CC[C@@H](NC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)C1.Cl.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride?
The InChIKey is MQEJHANWXNNRHB-XFULWGLBSA-N. The full InChI is InChI=1S/C20H24ClN5O2.ClH/c1-13(2)26-10-9-15(12-26)23-20(28)24-17-6-4-3-5-16(17)19(27)25-18-8-7-14(21)11-22-18;/h3-8,11,13,15H,9-10,12H2,1-2H3,(H,22,25,27)(H2,23,24,28);1H/t15-;/m1./s1.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride?
N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride has a molecular weight of 438.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride is sourced from PubChem (CID 157245051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).