[4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C18H29N3O — CID 109218091

IUPAC[4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCCN(CCC)c1ccnc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C18H29N3O/c1-4-10-20(11-5-2)16-8-9-19-17(13-16)18(22)21-12-6-7-15(3)14-21/h8-9,13,15H,4-7,10-12,14H2,1-3H3
InChIKeyPMYSWTUMAVZRCD-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.58
Rot. Bonds6

About [4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109218091) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is [4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109218091
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name[4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCCN(CCC)c1ccnc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C18H29N3O/c1-4-10-20(11-5-2)16-8-9-19-17(13-16)18(22)21-12-6-7-15(3)14-21/h8-9,13,15H,4-7,10-12,14H2,1-3H3
InChIKeyPMYSWTUMAVZRCD-UHFFFAOYSA-N
XLogP3.58
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[benzyl(methyl)amino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109211045
[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203679
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109084452
[4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109215179
N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080013
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
(2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109090134
N-cyclopentyl-4-(dipropylamino)pyridine-2-carboxamide
CID 109204064
N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109083914
[6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109354624
[5-amino-2-(dipropylamino)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 100805150

Frequently Asked Questions

What is the IUPAC name of [4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109218091) is [4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CCCN(CCC)c1ccnc(C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of [4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is PMYSWTUMAVZRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-10-20(11-5-2)16-8-9-19-17(13-16)18(22)21-12-6-7-15(3)14-21/h8-9,13,15H,4-7,10-12,14H2,1-3H3.
What are the key properties of [4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 303.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109218091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).