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

C14H22N4O — CID 104742285

IUPAC(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ncccc2N)C1
InChIInChI=1S/C14H22N4O/c1-3-17(4-2)11-7-9-18(10-11)14(19)13-12(15)6-5-8-16-13/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3
InChIKeyRUJIFDLRVAEKSN-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.22
Rot. Bonds4

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

(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 104742285) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID104742285
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ncccc2N)C1
InChIInChI=1S/C14H22N4O/c1-3-17(4-2)11-7-9-18(10-11)14(19)13-12(15)6-5-8-16-13/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3
InChIKeyRUJIFDLRVAEKSN-UHFFFAOYSA-N
XLogP1.22
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912
(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 104742169
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 104741726
2-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 104741733
(3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol
CID 143724925
(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168429
(6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158606
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736180
(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216905
(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 104742473

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 104742285) is (3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2ncccc2N)C1.
What is the InChIKey of (3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is RUJIFDLRVAEKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-17(4-2)11-7-9-18(10-11)14(19)13-12(15)6-5-8-16-13/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3.
What are the key properties of (3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 262.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 104742285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).