(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide

C14H23N5O — CID 119901488

IUPAC(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C14H23N5O/c1-11(15)14(20)17-10-12-3-4-16-13(9-12)19-7-5-18(2)6-8-19/h3-4,9,11H,5-8,10,15H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyBUFCHZOHGNETFI-LLVKDONJSA-N
MW277.37 g/mol
LogP-0.20
Rot. Bonds4

About (2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide

(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide (PubChem CID 119901488) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
PubChem CID119901488
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C14H23N5O/c1-11(15)14(20)17-10-12-3-4-16-13(9-12)19-7-5-18(2)6-8-19/h3-4,9,11H,5-8,10,15H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyBUFCHZOHGNETFI-LLVKDONJSA-N
XLogP-0.20
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
2-(3,4-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55911620
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841552
1-[(2R)-1-methoxypropan-2-yl]-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 94178037
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 60776851
(2S)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 94889865
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide
CID 120597553
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide (CID 119901488) is (2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide is C[C@@H](N)C(=O)NCc1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of (2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide?
The InChIKey is BUFCHZOHGNETFI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(15)14(20)17-10-12-3-4-16-13(9-12)19-7-5-18(2)6-8-19/h3-4,9,11H,5-8,10,15H2,1-2H3,(H,17,20)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide?
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide has a molecular weight of 277.37 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide is sourced from PubChem (CID 119901488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).