2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide

C21H29N5O — CID 70572382

IUPAC2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide
SMILESCN1CCN(Cc2ccc(-c3cccc(CN(C)C(=O)CN)c3)cn2)CC1
InChIInChI=1S/C21H29N5O/c1-24-8-10-26(11-9-24)16-20-7-6-19(14-23-20)18-5-3-4-17(12-18)15-25(2)21(27)13-22/h3-7,12,14H,8-11,13,15-16,22H2,1-2H3
InChIKeySCMKQJLKDTYGRV-UHFFFAOYSA-N
MW367.50 g/mol
LogP1.41
Rot. Bonds6

About 2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide

2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide (PubChem CID 70572382) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide
PubChem CID70572382
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide
SMILESCN1CCN(Cc2ccc(-c3cccc(CN(C)C(=O)CN)c3)cn2)CC1
InChIInChI=1S/C21H29N5O/c1-24-8-10-26(11-9-24)16-20-7-6-19(14-23-20)18-5-3-4-17(12-18)15-25(2)21(27)13-22/h3-7,12,14H,8-11,13,15-16,22H2,1-2H3
InChIKeySCMKQJLKDTYGRV-UHFFFAOYSA-N
XLogP1.41
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide
CID 70572704
2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
CID 70572290
2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70571684
2-amino-N-methyl-N-[[3-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70572228
2-amino-N-methyl-N-[[3-[2-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70572864
2-amino-N-methyl-N-[[3-[2-[4-(oxan-4-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70572030
2-amino-N-methyl-N-[[3-[2-[4-(5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
CID 70571158
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 70583070
2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide
CID 70572253
2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
CID 134137520
2-amino-N-[[3-[2-[4-(2-methoxyethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]-N-methylacetamide
CID 70572185
2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 126675392

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide (CID 70572382) is 2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide is CN1CCN(Cc2ccc(-c3cccc(CN(C)C(=O)CN)c3)cn2)CC1.
What is the InChIKey of 2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide?
The InChIKey is SCMKQJLKDTYGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-24-8-10-26(11-9-24)16-20-7-6-19(14-23-20)18-5-3-4-17(12-18)15-25(2)21(27)13-22/h3-7,12,14H,8-11,13,15-16,22H2,1-2H3.
What are the key properties of 2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide?
2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide has a molecular weight of 367.50 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[[3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]phenyl]methyl]acetamide is sourced from PubChem (CID 70572382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).