[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

C16H18N4O — CID 109181808

IUPAC[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(NCc2ccncc2)cn1)N1CCCC1
InChIInChI=1S/C16H18N4O/c21-16(20-9-1-2-10-20)15-4-3-14(12-19-15)18-11-13-5-7-17-8-6-13/h3-8,12,18H,1-2,9-11H2
InChIKeyKCBYXNHDKCKJBU-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.32
Rot. Bonds4

About [5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109181808) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109181808
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(NCc2ccncc2)cn1)N1CCCC1
InChIInChI=1S/C16H18N4O/c21-16(20-9-1-2-10-20)15-4-3-14(12-19-15)18-11-13-5-7-17-8-6-13/h3-8,12,18H,1-2,9-11H2
InChIKeyKCBYXNHDKCKJBU-UHFFFAOYSA-N
XLogP2.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109183266
azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109191619
piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone
CID 109182557
azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816
[5-(benzylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184568
[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188000
(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109186273
[5-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109181202
azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563

Frequently Asked Questions

What is the IUPAC name of [5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109181808) is [5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(NCc2ccncc2)cn1)N1CCCC1.
What is the InChIKey of [5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is KCBYXNHDKCKJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(20-9-1-2-10-20)15-4-3-14(12-19-15)18-11-13-5-7-17-8-6-13/h3-8,12,18H,1-2,9-11H2.
What are the key properties of [5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 282.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109181808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).