[5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C15H23ClN4O — CID 114923464

IUPAC[5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCCCNc1cc(C(=O)N2CCC(N(C)C)C2)c(Cl)cn1
InChIInChI=1S/C15H23ClN4O/c1-4-6-17-14-8-12(13(16)9-18-14)15(21)20-7-5-11(10-20)19(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyMECWWRDPAWMDLB-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.33
Rot. Bonds5

About [5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

[5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 114923464) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is [5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID114923464
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name[5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCCCNc1cc(C(=O)N2CCC(N(C)C)C2)c(Cl)cn1
InChIInChI=1S/C15H23ClN4O/c1-4-6-17-14-8-12(13(16)9-18-14)15(21)20-7-5-11(10-20)19(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyMECWWRDPAWMDLB-UHFFFAOYSA-N
XLogP2.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 114921944
[5-chloro-2-(propylamino)-4-pyridinyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 114923995
[5-chloro-2-(propylamino)-4-pyridinyl]-(2-ethylthiomorpholin-4-yl)methanone
CID 114924716
[5-chloro-2-(propylamino)-4-pyridinyl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 114922446
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915
[3-(dimethylamino)pyrrolidin-1-yl]-[3-(propylamino)-4-pyridinyl]methanone
CID 105070018
[5-chloro-2-(ethylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114921371
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588815
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228721
[5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone
CID 114922944
5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922793
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 114923201

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 114923464) is [5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CCCNc1cc(C(=O)N2CCC(N(C)C)C2)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is MECWWRDPAWMDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-4-6-17-14-8-12(13(16)9-18-14)15(21)20-7-5-11(10-20)19(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of [5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
[5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 310.83 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(propylamino)-4-pyridinyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 114923464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).