[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone

C16H26N4O — CID 63174668

IUPAC[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
SMILESCCNc1cc(C(=O)N2CCC(N(CC)CC)C2)ccn1
InChIInChI=1S/C16H26N4O/c1-4-17-15-11-13(7-9-18-15)16(21)20-10-8-14(12-20)19(5-2)6-3/h7,9,11,14H,4-6,8,10,12H2,1-3H3,(H,17,18)
InChIKeyBDKBPBLCGIIOIB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.07
Rot. Bonds6

About [3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone

[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone (PubChem CID 63174668) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
PubChem CID63174668
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
SMILESCCNc1cc(C(=O)N2CCC(N(CC)CC)C2)ccn1
InChIInChI=1S/C16H26N4O/c1-4-17-15-11-13(7-9-18-15)16(21)20-10-8-14(12-20)19(5-2)6-3/h7,9,11,14H,4-6,8,10,12H2,1-3H3,(H,17,18)
InChIKeyBDKBPBLCGIIOIB-UHFFFAOYSA-N
XLogP2.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942527
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
[3-(diethylamino)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 63175158
[2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 55042424
[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 110441411
[3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 63175115
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 110441497
(4-tert-butylphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 110440237
[3-(diethylamino)pyrrolidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107029365
(2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone
CID 103738174
[2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63614802

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone?
The IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone (CID 63174668) is [3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone?
The canonical SMILES for [3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone is CCNc1cc(C(=O)N2CCC(N(CC)CC)C2)ccn1.
What is the InChIKey of [3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone?
The InChIKey is BDKBPBLCGIIOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-17-15-11-13(7-9-18-15)16(21)20-10-8-14(12-20)19(5-2)6-3/h7,9,11,14H,4-6,8,10,12H2,1-3H3,(H,17,18).
What are the key properties of [3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone?
[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone has a molecular weight of 290.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 63174668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).