N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide

C12H16N4O3 — CID 133441885

IUPACN-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide
SMILESCc1ccnc(NCC(=O)NCC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c1-8-4-5-13-12(11(8)16(18)19)15-7-10(17)14-6-9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)(H,14,17)
InChIKeyQFBGIOOCPWJJEJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.24
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide

N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide (PubChem CID 133441885) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide
PubChem CID133441885
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide
SMILESCc1ccnc(NCC(=O)NCC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c1-8-4-5-13-12(11(8)16(18)19)15-7-10(17)14-6-9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)(H,14,17)
InChIKeyQFBGIOOCPWJJEJ-UHFFFAOYSA-N
XLogP1.24
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 133441803
N-(2-chloroprop-2-enyl)-4-methyl-3-nitropyridin-2-amine
CID 115637328
1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 133306955
4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine
CID 103525180
1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 115629511
N-[4-(2-methoxyethoxy)butyl]-4-methyl-3-nitropyridin-2-amine
CID 115629498
2,2,3-trimethyl-3-[(4-methyl-3-nitro-2-pyridinyl)amino]butanoic acid
CID 65266098
2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile
CID 80718010
2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide
CID 112738300
2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115696998
4-methyl-3-nitro-N-pentylpyridin-2-amine
CID 57153384
4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903275

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide (CID 133441885) is N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide is Cc1ccnc(NCC(=O)NCC2CC2)c1[N+](=O)[O-].
What is the InChIKey of N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide?
The InChIKey is QFBGIOOCPWJJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-4-5-13-12(11(8)16(18)19)15-7-10(17)14-6-9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)(H,14,17).
What are the key properties of N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide?
N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide has a molecular weight of 264.28 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 133441885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).