1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride

C17H24Cl2N4O2 — CID 154899078

IUPAC1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride
SMILESCCC[C@H]1CN(c2ccc(Cl)cn2)C[C@@H]1NC(=O)C1(C(N)=O)CC1.Cl
InChIInChI=1S/C17H23ClN4O2.ClH/c1-2-3-11-9-22(14-5-4-12(18)8-20-14)10-13(11)21-16(24)17(6-7-17)15(19)23;/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H2,19,23)(H,21,24);1H/t11-,13-;/m0./s1
InChIKeyBNIHLIXELXZXAQ-JZKFLRDJSA-N
MW387.31 g/mol
LogP2.14
Rot. Bonds6

About 1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride

1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride (PubChem CID 154899078) has the molecular formula C17H24Cl2N4O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride
PubChem CID154899078
Molecular FormulaC17H24Cl2N4O2
Molecular Weight387.31 g/mol
Exact Mass386.13
IUPAC Name1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride
SMILESCCC[C@H]1CN(c2ccc(Cl)cn2)C[C@@H]1NC(=O)C1(C(N)=O)CC1.Cl
InChIInChI=1S/C17H23ClN4O2.ClH/c1-2-3-11-9-22(14-5-4-12(18)8-20-14)10-13(11)21-16(24)17(6-7-17)15(19)23;/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H2,19,23)(H,21,24);1H/t11-,13-;/m0./s1
InChIKeyBNIHLIXELXZXAQ-JZKFLRDJSA-N
XLogP2.14
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 154897931
(3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
CID 128980942
1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine
CID 135136650
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
N-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]oxane-4-carboxamide
CID 72889509
(3R,4S)-1-[5-(methylsulfonylmethyl)-2-pyridinyl]-4-propylpyrrolidin-3-amine
CID 72896373
5-(5-chloro-2-pyridinyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185345
5-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 66233669
1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 39394641
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone
CID 63844432
2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119848016
tert-butyl N-[(3S)-1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 133400783

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride?
The IUPAC name of 1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride (CID 154899078) is 1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride?
The canonical SMILES for 1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride is CCC[C@H]1CN(c2ccc(Cl)cn2)C[C@@H]1NC(=O)C1(C(N)=O)CC1.Cl.
What is the InChIKey of 1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride?
The InChIKey is BNIHLIXELXZXAQ-JZKFLRDJSA-N. The full InChI is InChI=1S/C17H23ClN4O2.ClH/c1-2-3-11-9-22(14-5-4-12(18)8-20-14)10-13(11)21-16(24)17(6-7-17)15(19)23;/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3,(H2,19,23)(H,21,24);1H/t11-,13-;/m0./s1.
What are the key properties of 1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride?
1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride has a molecular weight of 387.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(3R,4S)-1-(5-chloro-2-pyridinyl)-4-propylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride is sourced from PubChem (CID 154899078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).