1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide

C15H23N5O — CID 119901458

IUPAC1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESCN1CCN(c2cc(CNC(=O)C3(N)CC3)ccn2)CC1
InChIInChI=1S/C15H23N5O/c1-19-6-8-20(9-7-19)13-10-12(2-5-17-13)11-18-14(21)15(16)3-4-15/h2,5,10H,3-4,6-9,11,16H2,1H3,(H,18,21)
InChIKeyURPORRNNERLUOE-UHFFFAOYSA-N
MW289.38 g/mol
LogP-0.06
Rot. Bonds4

About 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 119901458) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
PubChem CID119901458
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESCN1CCN(c2cc(CNC(=O)C3(N)CC3)ccn2)CC1
InChIInChI=1S/C15H23N5O/c1-19-6-8-20(9-7-19)13-10-12(2-5-17-13)11-18-14(21)15(16)3-4-15/h2,5,10H,3-4,6-9,11,16H2,1H3,(H,18,21)
InChIKeyURPORRNNERLUOE-UHFFFAOYSA-N
XLogP-0.06
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
1-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846317
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide
CID 120597553
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 47065929
3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride
CID 119901475
methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
CID 67382772
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55742798

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 119901458) is 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide is CN1CCN(c2cc(CNC(=O)C3(N)CC3)ccn2)CC1.
What is the InChIKey of 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is URPORRNNERLUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-19-6-8-20(9-7-19)13-10-12(2-5-17-13)11-18-14(21)15(16)3-4-15/h2,5,10H,3-4,6-9,11,16H2,1H3,(H,18,21).
What are the key properties of 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119901458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).