(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

C14H20N4O — CID 81239759

IUPAC(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESNc1ccncc1C(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H20N4O/c15-13-3-4-16-9-12(13)14(19)18-7-5-17(6-8-18)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H2,15,16)
InChIKeyMQUVDYDHCJXYLG-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.83
Rot. Bonds3

About (4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (PubChem CID 81239759) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
PubChem CID81239759
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESNc1ccncc1C(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H20N4O/c15-13-3-4-16-9-12(13)14(19)18-7-5-17(6-8-18)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H2,15,16)
InChIKeyMQUVDYDHCJXYLG-UHFFFAOYSA-N
XLogP0.83
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone
CID 81236290
(2-amino-5-chlorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 61108944
(2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 62185190
(4-amino-3-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110854677
(3-amino-5-bromo-2-methylphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 107872402
(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81255698
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
4-(cyclopropylmethyl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 47071641
(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 80706708
(2-aminophenyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119946751
(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912
[4-(cyclopropylmethyl)piperazin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82829563

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (CID 81239759) is (4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is Nc1ccncc1C(=O)N1CCN(CC2CC2)CC1.
What is the InChIKey of (4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The InChIKey is MQUVDYDHCJXYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-13-3-4-16-9-12(13)14(19)18-7-5-17(6-8-18)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H2,15,16).
What are the key properties of (4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 81239759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).