2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide

C12H20N4O — CID 79245784

IUPAC2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide
SMILESCNc1ccnc(CN(CC(N)=O)C(C)C)c1
InChIInChI=1S/C12H20N4O/c1-9(2)16(8-12(13)17)7-11-6-10(14-3)4-5-15-11/h4-6,9H,7-8H2,1-3H3,(H2,13,17)(H,14,15)
InChIKeyUEJDRIHROCWHFV-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.82
Rot. Bonds6

About 2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide

2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide (PubChem CID 79245784) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide
PubChem CID79245784
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide
SMILESCNc1ccnc(CN(CC(N)=O)C(C)C)c1
InChIInChI=1S/C12H20N4O/c1-9(2)16(8-12(13)17)7-11-6-10(14-3)4-5-15-11/h4-6,9H,7-8H2,1-3H3,(H2,13,17)(H,14,15)
InChIKeyUEJDRIHROCWHFV-UHFFFAOYSA-N
XLogP0.82
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide (CID 79245784) is 2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide is CNc1ccnc(CN(CC(N)=O)C(C)C)c1.
What is the InChIKey of 2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide?
The InChIKey is UEJDRIHROCWHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)16(8-12(13)17)7-11-6-10(14-3)4-5-15-11/h4-6,9H,7-8H2,1-3H3,(H2,13,17)(H,14,15).
What are the key properties of 2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide?
2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide has a molecular weight of 236.32 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 79245784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).