N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide

C14H21N3O — CID 54869747

IUPACN-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)NCC(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C14H21N3O/c1-11(2)16-9-14(18)17(13-3-4-13)10-12-5-7-15-8-6-12/h5-8,11,13,16H,3-4,9-10H2,1-2H3
InChIKeyDHFCIBIZRLNZJK-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.57
Rot. Bonds6

About N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide

N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 54869747) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID54869747
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)NCC(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C14H21N3O/c1-11(2)16-9-14(18)17(13-3-4-13)10-12-5-7-15-8-6-12/h5-8,11,13,16H,3-4,9-10H2,1-2H3
InChIKeyDHFCIBIZRLNZJK-UHFFFAOYSA-N
XLogP1.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869783
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
N-benzyl-2-(butan-2-ylamino)-N-cyclopropylacetamide
CID 54925148
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 54872080
6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 60953865
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide
CID 64685662
(4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide
CID 124754969
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61327867
(2S,3S)-2-[[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100128

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide (CID 54869747) is N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide is CC(C)NCC(=O)N(Cc1ccncc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is DHFCIBIZRLNZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)16-9-14(18)17(13-3-4-13)10-12-5-7-15-8-6-12/h5-8,11,13,16H,3-4,9-10H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide?
N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 54869747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).