2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide

C13H22N4O — CID 79245478

IUPAC2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide
SMILESCNc1ccnc(CN(C)CC(=O)NC(C)C)c1
InChIInChI=1S/C13H22N4O/c1-10(2)16-13(18)9-17(4)8-12-7-11(14-3)5-6-15-12/h5-7,10H,8-9H2,1-4H3,(H,14,15)(H,16,18)
InChIKeyKDAPBIPKFMWTTL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.08
Rot. Bonds6

About 2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide

2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide (PubChem CID 79245478) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide
PubChem CID79245478
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide
SMILESCNc1ccnc(CN(C)CC(=O)NC(C)C)c1
InChIInChI=1S/C13H22N4O/c1-10(2)16-13(18)9-17(4)8-12-7-11(14-3)5-6-15-12/h5-7,10H,8-9H2,1-4H3,(H,14,15)(H,16,18)
InChIKeyKDAPBIPKFMWTTL-UHFFFAOYSA-N
XLogP1.08
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(methylamino)-2-pyridinyl]methyl-propan-2-ylamino]acetamide
CID 79245784
2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 79255705
2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198494
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 51075766
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine
CID 79244227
N-methyl-2-[(N,2,4-trimethylanilino)methyl]pyridin-4-amine
CID 79245583
2-[(3-fluoro-4-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 107694011
N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79244648
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-4-amine
CID 79250925
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 79673031

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide (CID 79245478) is 2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide is CNc1ccnc(CN(C)CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is KDAPBIPKFMWTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)16-13(18)9-17(4)8-12-7-11(14-3)5-6-15-12/h5-7,10H,8-9H2,1-4H3,(H,14,15)(H,16,18).
What are the key properties of 2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide?
2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 250.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 79245478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).